UCSF

All Standard Subsets (22 in total)

Ready-to-download subsets of ZINC filtered by physical properties are available below. All molecules in all subsets are purchasable EXCEPT the everything subset (#10). To go to the download page, click on the subset name. To browse sample compounds, click on the number of compounds. Three versions of subsets are available:
Standard:
For delivery in 0-10 weeks, including in-stock, make-on-demand and agent compounds
Clean:
Stricter filtering rules have been applied - e.g. aldehyes and thiols have been removed
In Stock:
For immediate delivery - typically less than 2 weeks
Boutique:
Boutique compounds — you should be willing to "pay any price". These are NOT included in standard, clean and in stock subsets, where the target price is $100 or less per sample
More about ZINC subsets is here. 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.
# Name Comments Size Last
Updated		 Selection Criteria Browse Download Usual Subset
1 Lead-Like Teague, Davis, Leeson, Oprea, Angew Chem Int Ed Engl. 1999 Dec 16;38(24):3743-3748. 6053287 2014-09-29 p.mwt <= 350 and p.mwt >= 250 and p.xlogp <= 3.5 and p.rb <= 7 Overview Basic SMILES SDF MOL2 Flexibase
2 Fragment-Like Carr RA, Congreve M, Murray CW, Rees DC, Drug Discov Today. 2005 Jul 15;10(14):987 847909 2015-02-04 p.xlogp <=3.5 and p.mwt <=250 and p.rb <= 5 Overview Basic SMILES SDF MOL2 Flexibase
3 Drug-Like Lipinski, J Pharmacol Toxicol Methods. 2000 Jul-Aug;44(1):235-49. 17900742 2014-11-24 p.mwt <= 500 and p.mwt >= 150 and p.xlogp <= 5 and p.rb <=7 and p.psa < 150 and p.n_h_donors <= 5 and p.n_h_acceptors <= 10 Overview Basic SMILES SDF MOL2 Flexibase
6 All Purchasable Purchasable chemical space 22724825 2014-11-28 Overview Basic SMILES SDF MOL2 Flexibase
7 Shards Type I binding sites 635159 2014-05-16 p.mwt < 190 Overview Basic SMILES SDF MOL2 Flexibase
9 Om Really everything, even molecules in no catalog, SMILES only 0 2013-09-04 Overview Basic SMILES SDF MOL2 Flexibase
10 Everything All public molecules in ZINC, including around 1M compounds not in subset #6 that may not be available commercially 42271452 2014-11-24 Overview Basic SMILES SDF MOL2 Flexibase
11 Clean Leads As Subset #1, but without 'yuck' compounds. 4591276 2014-09-25 p.mwt <= 350 and p.mwt >= 250 and p.xlogp <= 3.5 and p.rb <= 7 Overview Basic SMILES SDF MOL2 Flexibase
12 Clean Fragments As Subset #2, but without 'yuck' compounds. 1611889 2014-09-24 p.xlogp <=3.5 and p.mwt <=250 and p.rb <= 5 Overview Basic SMILES SDF MOL2 Flexibase
13 Clean Drug-Like As Subset #3, but without 'yuck' compounds. 13195609 2013-11-05 p.mwt <= 500 and p.mwt >= 150 and p.xlogp <= 5 and p.rb <=7 and p.psa < 150 and p.n_h_donors <= 5 and p.n_h_acceptors <= 10 Overview Basic SMILES SDF MOL2 Flexibase
16 All Clean As Subset #6, but without 'yuck' compounds. 16403865 2013-12-18 Overview Basic SMILES SDF MOL2 Flexibase
17 Clean Shards Type I binding sites 325950 2014-11-24 p.mwt < 190 Overview Basic SMILES SDF MOL2 Flexibase
21 Leads Now Teague, Davis, Leeson, Oprea, Angew Chem Int Ed Engl. 1999 Dec 16;38(24):3743-3748. 3687621 2014-06-25 p.mwt <= 350 and p.mwt >= 250 and p.xlogp <= 3.5 and p.rb <= 7 Overview Basic SMILES SDF MOL2 Flexibase
22 Frags Now Carr RA, Congreve M, Murray CW, Rees DC, Drug Discov Today. 2005 Jul 15;10(14):987 704041 2015-02-04 p.xlogp <=3.5 and p.mwt <=250 and p.rb <= 5 Overview Basic SMILES SDF MOL2 Flexibase
23 Drugs Now Lipinski, J Pharmacol Toxicol Methods. 2000 Jul-Aug;44(1):235-49. 10639555 2014-11-24 p.mwt <= 500 and p.mwt >= 150 and p.xlogp <= 5 and p.rb <=7 and p.psa < 150 and p.n_h_donors <= 5 and p.n_h_acceptors <= 10 Overview Basic SMILES SDF MOL2 Flexibase
26 All Now Immediately purchasable chemical space 12782590 2014-05-01 Overview Basic SMILES SDF MOL2 Flexibase
27 Shards Now Type I binding sites 424775 2014-09-24 p.mwt < 190 Overview Basic SMILES SDF MOL2 Flexibase
41 Boutique Leads Teague, Davis, Leeson, Oprea, Angew Chem Int Ed Engl. 1999 Dec 16;38(24):3743-3748. 5114169 2012-12-24 p.mwt <= 350 and p.mwt >= 250 and p.xlogp <= 3.5 and p.rb <= 7 Overview Basic SMILES SDF MOL2 Flexibase
42 Boutique Frags Carr RA, Congreve M, Murray CW, Rees DC, Drug Discov Today. 2005 Jul 15;10(14):987 2755555 2013-11-08 p.xlogp <=3.5 and p.mwt <=250 and p.rb <= 5 Overview Basic SMILES SDF MOL2 Flexibase
43 Boutique Drugs Lipinski, J Pharmacol Toxicol Methods. 2000 Jul-Aug;44(1):235-49. 10292210 2012-11-27 p.mwt <= 500 and p.mwt >= 150 and p.xlogp <= 5 and p.rb <=7 and p.psa < 150 and p.n_h_donors <= 5 and p.n_h_acceptors <= 10 Overview Basic SMILES SDF MOL2 Flexibase
46 All Boutique Purchasable chemical space, no price limit 12217845 2012-11-27 Overview Basic SMILES SDF MOL2 Flexibase
47 Boutique Shards Type I binding sites, expensive only 80698 2013-11-08 p.mwt < 190 Overview Basic SMILES SDF MOL2 Flexibase