UCSF

All Special Subsets (16 in total)

Ready-to-download special subsets of ZINC are available below. Click on the subset name to go to the download page. Click on the number of compounds to browse. These subsets contain only molecules that are purchasable. Natural products and their derivatives, which are often isolated rather than synthesized, may be surprisingly expensive if you are used to the price of synthetic screening compounds. More about ZINC subsets is here. A 2014 PNAS paper refers to full space fragments.
 
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
96 Zdd ZINC Drug Database - commercially available approved drugs, worldwide, as pure compounds. FDA. Drugbank Approved and Nutraceuticals 2924 2013-02-23 c.cat_id in (219,217,178) Overview Basic SMILES SDF MOL2 Flexibase
97 Zmd ZINC (primary) Metabolites Database - commercially available. Based on HMDB and BioCyc 5391 2013-02-20 c.cat_id in (224,460) Overview Basic SMILES SDF MOL2 Flexibase
98 Zbc ZINC Biogenic compounds - commercially available primary and secondary metabolites (natural products), based on ZINC catalogs ending in np 180313 2013-02-22 c.cat_id in (176,509,525,23,453, 493,501,503,504,505,517,520, 519,521,523,224,90,526, 507,460,685,453,608,609, 231,683,694,692,685,686,692,693,694,695) Overview Basic SMILES SDF MOL2 Flexibase
99 Zbb ZINC Building Blocks - commercially available building blocks based on catalogs ending in bb and bb-v 2722012 2012-04-23 c.cat_id in (6,58,62,76,116, 192,250,252,278,297, 302,304,306,311,317,326, 328,332,334,336,343,347, 362,368,370,372,374,389, 447,449,497,503,544,546, 548,550,563,565,600,604, 616,618,620,636,641,643, 648,652,656,672,690, 289,366,391,446,496,499,531,595,665) Overview Basic SMILES SDF MOL2 Flexibase
100 Zbb Now ZINC Building Blocks - commercially available building blocks, immediately delivery from stock, based on catalogs ending in bb only 506673 2013-02-23 c.cat_id in (6,58,62,76,116, 192,250,252,278,297, 302,304,306,311,326, 328,332,334,336,343,347, 362,368,370,372,374,389, 447,449,497,503,544,546, 548,550,563,565,600,604, 616,618,620,636,641,643, 648,652,656,690) Overview Basic SMILES SDF MOL2 Flexibase
101 Zbc Leads Biogenic lead-like compounds; see wiki. 26504 2013-02-24 p.mwt <= 350 and p.mwt >= 250 and p.xlogp <= 3.5 and p.rb <= 7 Overview Basic SMILES SDF MOL2 Flexibase
102 Zbc Frags Biogenic fragment-like compounds; see wiki. 13512 2013-02-23 p.xlogp <=3.5 and p.mwt <=250 and p.rb <= 5 Overview Basic SMILES SDF MOL2 Flexibase
103 Zbc Drugs Biogenic drug-like compounds; see wiki. 101746 2013-02-24 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
104 Zim ZINC In Man - experimental compounds that have been in man, worldwide, including drugs. FDA. Drugbank Approved, Experimental, Nutraceuticals, Street/Illicit, Withdrawn. ChEMBL DrugStore. NPC. Microsource world+US drugs. NIH CC 11421 2013-02-21 c.cat_id in (178,218,219,324,482,217,104, 612,610,457,628,679,589) Overview Basic SMILES SDF MOL2 Flexibase
107 Zbc Shards Biogenic shard-like compounds; see wiki. 756 2013-02-23 p.mwt < 160 Overview Basic SMILES SDF MOL2 Flexibase
109 Znd ZINC Natural Derivatives - chemically modified natural products, commercially available, based on catalogs ending in nd 30793 2013-02-21 c.cat_id in (533,527) Overview Basic SMILES SDF MOL2 Flexibase
201 Zni Leads Nature-inspired (biogenic-like) lead-like compounds; see wiki 459223 2013-02-27 p.mwt <= 350 and p.mwt >= 250 and p.xlogp <= 3.5 and p.rb <= 7 Overview Basic SMILES SDF MOL2 Flexibase
202 Zni Frags Nature-inspired (biogenic-like) fragment-like compounds; see wiki 263112 2013-02-26 p.xlogp <=3.5 and p.mwt <=250 and p.rb <= 5 Overview Basic SMILES SDF MOL2 Flexibase
203 Zni Drugs Nature-inspired (biogenic-like) drug-like compounds; see wiki 1243932 2013-02-27 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
206 Zni All All nature-inspired (biogenic-like) compounds; see wiki 0 2013-02-21 Overview Basic SMILES SDF MOL2 Flexibase
207 Zni Shards Nature-inspired (biogenic-like) shard-like compounds; see wiki 15989 2013-02-26 p.mwt < 160 Overview Basic SMILES SDF MOL2 Flexibase