[Zinc-fans] subset 29
Ben Keshet
keshet1 at umbc.edu
Mon Jun 22 12:52:20 PDT 2009
Hi,
According to the ZINC subsets page, subset #29 is CNS permeable
molecules, however I cannot find this subset in the download-able list
of subsets. Is it still available anywhere? If yes, what was the
criteria that this subset was filtered by?
Another unrelated question - when I search ZINC, I can always view less
hits per page than I indicate. For example, I have only 94 hits when I
ask for 500/page. Below the table I have the following text:
start 0 size 500
select s.sub_id,s.smiles from substance s, protomer p, catalog_item ci,
catalog c , zinctmp.qury q where s.sub_id = ci.sub_id_fk and
ci.cat_id_fk = c.cat_id and c.free=1 and p.sub_id_fk = s.sub_id and
q.qury_id = 146604 and q.sub_id = s.sub_id limit 0,500
When I downloaded the table, I got a shorter table than what I
expected. For example, searching by smile: Cc1ccc(C)cc1, yielded only
165 molecules. What am I missing?
Thanks,
Ben Keshet
UMBC
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