Choose your own ZINC subset

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Compose a query by specifying molecular property constraints on the left, molecule constitution constraints on the right.
You may also specify ZINC IDs, original catalog numbers, and SMARTS, below.

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

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from sketch above or type by hand below.

Or upload smiles from file

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groups:

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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.