Choose your own ZINC subset

Compose a query by specifying molecular property constraints on the left, molecule constitution constraints on the right.

≤	Net charge	≤
≤	xLogP	≤
≤	Rotatable bonds	≤
≤	# H-donors	≤
≤	# H-acceptors	≤
≤	Polar desolvation	≤
≤	Apolar desolvation:	≤
≤	Molecular weight	≤
Purchasable?
ZINC codes (1 per line) Or upload a list of ZINC codes
Vendor - (latest catalog loaded) moving to Supplier catalog number:

Please enable Java and JavaScript to use the molecule editor
from sketch above or type by hand below.

Or upload smiles from file

Select one or
more functional
groups:

- No time limit

Notes

SMILES/SMARTS are ORed together
ZINC codes are ORed together
SMILES, ZINC codes and all other constraints are ANDed together.
Each page contains up to 100 molecules
Please allow one minute for the search to complete. Search time may be even longer if you specify SMILES/SMARTS.

We'd like to thank Peter Ertl at Novartis for the Java Molecular Editor (JME).

Last updated Dec 15, 2004 by jji at cgl.ucsf.edu.