| ZINC Database by Vendor |
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These databases have been provided to us under collaborative agreements with each respective vendor. Molecules in the original catalogs may not appear in ZINC because they do not pass our filters, or they have not been processed yet. ZINC may be used free of charge for research by individuals and institutions. Whereas you are free to share the results of a ZINC search or a screen of molecules from ZINC, you may not redistribute major portions of ZINC without the express written permission of John Irwin. Additional usage notes may be found below the table. |
| Vendor Version: # in catalog | Contact information | Number in ZINC | 2: Multiple tautomeric and protonation states (in chunks for easier download) |
|---|---|---|---|
| ACB-Eurochem Version: 2004-08-01 : 100000 | www.acb-eurochem.com sales@abc-eurochem.com Voice: phone Fax: fax | 98603 | 1: SMILES, mol2:1 sdf:1 2: SMILES, mol2:1 2 sdf:1 2 DOCK flexibase:1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 All Purchasing info |
| Ambinter Version: 2004-08-01 : 886969 | www.ambinter.com ambinter@compuserve.com Voice: +33 1 4524 4860 Fax: +33 1 4524 6241 | 533866 | 1: SMILES, mol2:1 2 3 4 5 6 All sdf:1 2 3 4 5 6 All 2: SMILES, mol2:1 2 3 4 5 6 7 8 All sdf:1 2 3 4 5 6 7 8 All DOCK flexibase:1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 All Purchasing info |
| Asinex Version: 2004-08-01 : 353123 | www.asinex.com sales@asinex.com Voice: +7 095 780 3411 Fax: +7 095 780 3419 | 293385 | 1: SMILES, mol2:1 2 3 sdf:1 2 3 2: SMILES, mol2:1 2 3 4 All sdf:1 2 3 4 All DOCK flexibase: Purchasing info |
| ChemBridge Version: 2004-08-01 : 360000 | www.chembridge.com sales@chembridge.com Voice: 858 451 7400 Fax: 858 451 7401 | 562624 | 1: SMILES, mol2:1 2 3 4 5 6 All sdf:1 2 3 4 5 6 All 2: SMILES, mol2:1 2 3 4 5 6 7 8 9 All sdf:1 2 3 4 5 6 7 8 All DOCK flexibase:1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 All Purchasing info |
| ChemDiv Version: 2004-01-01 : 600000 | www.chemdiv.com chemdiv@chemdiv.com Voice: 858-794-4860 Fax: 858-794-4931 | 361859 | 1: SMILES, mol2:1 2 3 4 All sdf:1 2 3 4 All 2: SMILES, mol2:1 2 3 4 5 All sdf:1 2 3 4 5 All DOCK flexibase:1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 All Purchasing info |
| ComGenex Version: Nov 2003 : 337906 | www.comgenex.com info@comgenex.com Voice: 650 246 1470 Fax: 650 244 0795 | 38590 | 1: SMILES, mol2:1 sdf:1 2: SMILES, mol2:1 sdf:1 DOCK flexibase:1 2 3 4 5 6 7 All Purchasing info |
| Enamine Version: 2004.10 : 350000 | www.enamine.net sales@enamine.com Voice: +380 44 537 3218 Fax: +380 44 537 3253 | 533111 | 1: SMILES, mol2:1 2 3 4 5 6 All sdf:1 2 3 4 5 6 All 2: SMILES, mol2:1 2 3 4 5 6 All sdf:1 2 3 4 5 6 All DOCK flexibase:1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 All Purchasing info |
| IBScreen Version: 2004.10 : 386000 | www.ibscreen.com screen@ibscreen.chg.ru Voice: +7 (095) 788 0651 Fax: +7 (095) 788 0652 | 452728 | 1: SMILES, mol2:1 2 3 4 5 All sdf:1 2 3 4 5 All 2: SMILES, mol2:1 2 3 4 5 6 7 All sdf:1 2 3 4 5 6 7 All DOCK flexibase:1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 All Purchasing info |
| InterChim Version: 2004-10 : 131000 | www.interchim.com sales@interchim.com Voice: +33 (0) 470038855 Fax: +33 (0) 470038260 | 288882 | 1: SMILES, mol2:1 2 3 sdf:1 2 3 2: SMILES, mol2:1 2 3 4 All sdf:1 2 3 4 All DOCK flexibase:1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 All Purchasing info |
| KeyOrganics Version: 2004-08-01 : 38535 | www.keyorganics.ltd.uk enquiries@keyorganics.ltd.uk Voice: +44 1840 212171 Fax: +44 1840 212137 | 22294 | 1: SMILES, mol2:1 sdf:1 2: SMILES, mol2:1 sdf:1 DOCK flexibase:1 2 3 Purchasing info |
| Life Chemicals (was IFLab) Version: 2004.10 : 120000 | www.lifechemicals.com sales@lifechemicals.com Voice: +1 905 634 5212 Fax: +1 905 634 4719 | 44762 | 1: SMILES, mol2:1 sdf:1 2: SMILES, mol2:1 sdf:1 DOCK flexibase:1 2 3 4 5 6 7 8 All Purchasing info |
| Maybridge Version: 2004-07-01 : 59284 | www.maybridge.com orders@maybridge.com Voice: +44 1840 770467 Fax: +44 1840 770111 | 53042 | 1: SMILES, mol2:1 sdf:1 2: SMILES, mol2:1 sdf:1 DOCK flexibase:1 2 3 4 5 6 7 All Purchasing info |
| Nanosyn Version: 2004-08-01 : 75000 | www.nanosyn.com sales@nanosyn.com Voice: +1 650 853 7030 Fax: +1 650 853 7031 | 68317 | 1: SMILES, mol2:1 sdf:1 2: SMILES, mol2:1 sdf:1 DOCK flexibase:1 2 3 4 5 6 7 8 9 10 All Purchasing info |
| National Cancer Institute Version: Nov 2003 : 237771 | dtp.nci.nih.gov Annotated Voice: no phone Fax: no fax | 223536 | 1: SMILES, mol2:1 2 3 sdf:1 2 3 2: SMILES, mol2:1 2 3 sdf:1 2 3 DOCK flexibase:1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 All Purchasing info |
| Otava Version: 2004-08-01 : 66790 | www.otavachemicals.com info@otavachemicals.com Voice: (+380 44) 2522389 Fax: (+380 44) 2522458 | 181195 | 1: SMILES, mol2:1 2 sdf:1 2 2: SMILES, mol2:1 2 3 sdf:1 2 3 DOCK flexibase:1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 All Purchasing info |
| Peakdale Version: 2004-08-01 : 10000 | www.peakdale.com sales@peakdale.com Voice: +1 302 838 0420 Fax: +1 302 838 0421 | 9632 | 1: SMILES, mol2:1 sdf:1 2: SMILES, mol2:1 sdf:1 DOCK flexibase:1 2 Purchasing info |
| Pharmeks Version: 2003-03 : 105000 | www.pharmeks.com sales@pharmeks.com Voice: +7 (095) 702-9648 Fax: +7 (095) 702-9648 | 116355 | 1: SMILES, mol2:1 2 sdf:1 2 2: SMILES, mol2:1 2 sdf:1 2 DOCK flexibase:1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 All Purchasing info |
| PubChem Version: 2004-10 : 800000 | pubchem.ncbi.nlm.nih.gov Voice: phone Fax: fax | 45831 | 1: SMILES, mol2:1 sdf:1 2: SMILES, mol2:1 sdf:1 DOCK flexibase:1 2 3 4 All Purchasing info |
| Ryan Scientific Version: Nov 2003 : 59696 | www.ryansci.com sales@ryansci.com Voice: 843 884 4911 Fax: 843 884 5568 | 64205 | 1: SMILES, mol2:1 sdf:1 2: SMILES, mol2:1 sdf:1 DOCK flexibase:1 2 3 4 5 6 7 8 All Purchasing info |
| Sigma-Aldrich Version: 2004-01-01 : 150000 | www.sigma-aldrich.com sales@sigma-aldrich.com Voice: 800-325-3010 Fax: | 49022 | 1: SMILES, mol2:1 sdf:1 2: SMILES, mol2:1 sdf:1 DOCK flexibase:1 2 3 4 5 6 All Purchasing info |
| Specs Version: 2004-07-01 : 175000 | www.specs.net info@specs.net Voice: 410 772 3200 Fax: 410 772 3206 | 307550 | 1: SMILES, mol2:1 2 3 4 All sdf:1 2 3 4 All 2: SMILES, mol2:1 2 3 4 All sdf:1 2 3 4 All DOCK flexibase:1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 All Purchasing info |
| TimTec Version: 2004-08-01 : 135209 | www.timtec.net info@timtec.net Voice: (302) 292-8500 Fax: (302) 292-8520 | 127173 | 1: SMILES, mol2:1 2 sdf:1 2 2: SMILES, mol2:1 2 sdf:1 2 DOCK flexibase:1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 All Purchasing info |
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In the downloads above, files on the line beginning with 1: include a single representation of each substance. Files on the line beginning with a 2: include multiple representations of each substance. This includes multiple protonation states (we aim to sample between pH 5.0 and 9.5) as well as multiple tautomeric forms. ZINC numbers refer to molecules at the substance level, so a single ZINC catalog number may appear multiple times in the 2: files, but only once in the 1: files. The flexibase format files are only read by the DOCK3.5.54 and the DOCK5.2 software programs (or later versions thereof). Last updated Dec 15, 2004 by jji at cgl.ucsf.edu. |