Readytodownload subsets of ZINC filtered by physical properties
are available below. 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:

Subset Click to download and Description  Compounds Click to browse  Last Update  Selection criteria  Only one source  T<.9  T<.8  T<.7  T<.6 
boutiqueshards (#47) Type I binding sites, no price limit 
80698  20131108  p.mwt < 160  20310  18059  6930  2390  858 
alljfk (#46) Purchasable chemical space, no price limit 
12217845  20121127  10718336  120989  37809  12603  5041  
jfkdrugs (#43) Lipinski, J Pharmacol Toxicol Methods. 2000 JulAug;44(1):23549. 
10292210  20121127  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  9037173  126030  42850  15123  5041 
boutiquefrags (#42) Carr RA, Congreve M, Murray CW, Rees DC, Drug Discov Today. 2005 Jul 15;10(14):987 
2755555  20131108  p.xlogp <=3.5 and p.mwt <=250 and p.rb <= 5  899179  N/A  N/A  10082  3067 
shardsnow (#27) Type I binding sites 
424775  20140924  p.mwt < 190  60490  N/A  N/A  12325  5172 
allnow (#26) Immediately purchasable chemical space 
12782590  20140501  2896210  0  0  0  0  
drugsnow (#23) Lipinski, J Pharmacol Toxicol Methods. 2000 JulAug;44(1):23549. 
10639555  20141124  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  962293  N/A  N/A  N/A  N/A 
fragsnow (#22) Carr RA, Congreve M, Murray CW, Rees DC, Drug Discov Today. 2005 Jul 15;10(14):987 
704041  20150204  p.xlogp <=3.5 and p.mwt <=250 and p.rb <= 5  144195  N/A  81006  0  9799 
leadsnow (#21) Teague, Davis, Leeson, Oprea, Angew Chem Int Ed Engl. 1999 Dec 16;38(24):37433748. 
3687621  20140625  p.mwt <= 350 and p.mwt >= 250 and p.xlogp <= 3.5 and p.rb <= 7  860514  322638  322638  100498  0 
cleanshards (#17) Type I binding sites 
325950  20141124  p.mwt < 190  45427  N/A  20260  7616  3327 
allclean (#16) As Subset #6, but without 'yuck' compounds. 
16403865  20131218  7743126  342803  40329  27726  7561  
cleandruglike (#13) As Subset #3, but without 'yuck' compounds. 
13195609  20131105  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  6718992  123510  60494  22685  7561 
cleanfragments (#12) As Subset #2, but without 'yuck' compounds. 
1611889  20140924  p.xlogp <=3.5 and p.mwt <=250 and p.rb <= 5  249180  N/A  N/A  0  6274 
cleanleads (#11) As Subset #1, but without 'yuck' compounds. 
4591276  20140925  p.mwt <= 350 and p.mwt >= 250 and p.xlogp <= 3.5 and p.rb <= 7  1624502  N/A  N/A  N/A  0 
everything (#10) All public molecules in ZINC, including around 1M compounds not in subset #6 that may not be available commercially 
42271452  20141124  12050254  0  0  0  0  
shards (#7) Type I binding sites 
635159  20140516  p.mwt < 190  122190  130298  35304  12852  5422 
allpurchasable (#6) Purchasable chemical space 
22724825  20141128  5384570  N/A  N/A  N/A  0  
druglike (#3) Lipinski, J Pharmacol Toxicol Methods. 2000 JulAug;44(1):23549. 
17900742  20141124  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  8440517  N/A  N/A  N/A  N/A 
fragmentlike (#2) Carr RA, Congreve M, Murray CW, Rees DC, Drug Discov Today. 2005 Jul 15;10(14):987 
847909  20150204  p.xlogp <=3.5 and p.mwt <=250 and p.rb <= 5  235831  N/A  N/A  30837  10579 
leadlike (#1) Teague, Davis, Leeson, Oprea, Angew Chem Int Ed Engl. 1999 Dec 16;38(24):37433748. 
6053287  20140929  p.mwt <= 350 and p.mwt >= 250 and p.xlogp <= 3.5 and p.rb <= 7  2221528  N/A  N/A  N/A  N/A 
The following limits are in effect:
We have generated protonated forms in 3 pH ranges. The reference structure ("ref") is a single representative structure at pH 7. The middle pH range ("mid") contains additional protonated forms obtained by titrating protons with pKa between 5.75 and 8.25. The low pH range ("lo") contains additional protonated forms between pH 4.57 and the high pH range ("hi") contains additional protonation forms between pH 79.5. Databases are divided into chunks for easier download. mol2 and sdf slices are 100MB or less uncompressed (often 30MB compressed, containing 20K to 30K molecules each Flexibase are 200MB or less uncompressed. To download all files in the usual pH range (5.758.25) use "Usual". To download databases for metalloenzymes use "Metal", which adds the pH range 79.5 to usual above. For the entire pH range 4.59.5 please use "All". We also offer tables of Molecular Properties, purchasing information, and Inchi files. Last updated: Jan 30, 2007 by jji at cgl.ucsf.edu. 