[Zinc-fans] Question about "all purchasable" subset.

marc marc at plasmodium.sfsu.edu
Thu Oct 30 15:18:11 PDT 2008


Hello other Zinc fans,
I've just recently started using the OpenEyes utilities ROCS and EON to 
do shape/electrostatics comparison against ZINC on a couple of projects. 

Quick question about the large "all purchasable" subset.   I've found a 
number of hits from this subset, that when I follow up
on them only list a single "vendor" (pubchem).  Are compounds listed in 
Pubchem really purchasable?  I've never thought of Pubchem as a vendor, 
and can't see any way of procuring compounds when I visit their website.

Assuming I'm right, say in this small subset of my hits (30 compounds), 
it appears that 5 of them appear only in PubChem.   (~16% of the hits 
below don't appear to be purchasable, unless Zinc is mis-categorizing 
them).  Any clarification on this issue?  thanks!
-marc
 
(example hits discussed above)
ZINC02446063
ZINC02662187
ZINC02452477
ZINC01880905
ZINC05856559
ZINC05659935
ZINC05868217
ZINC02795975
ZINC02627253
ZINC02452559
ZINC03322371
ZINC05710334
ZINC02801709
ZINC05710332
ZINC02642441
ZINC02642734
ZINC02629220
ZINC02644454
ZINC02795932
ZINC02726185
ZINC02726179
ZINC02726184
ZINC02627254
ZINC02625976
ZINC02619544
ZINC02651288
ZINC02726181
ZINC05865175
ZINC02409256
ZINC05865164





-- 
Marc Anderson, Ph.D.
Assistant Professor of Chemistry
Department of Chemistry and Biochemistry
San Francisco State University
San Francisco, CA 94132-4136
Office:  (415) 338-6495
Fax:     (415) 405-0377
Email:  marc at sfsu.edu
Web:    http://plasmodium.sfsu.edu/~marc/research
(for UPS/FedEx shipments, Thornton Hall, Room 706)

-- 
Marc Anderson, Ph.D.
Assistant Professor of Chemistry
Department of Chemistry and Biochemistry
San Francisco State University
San Francisco, CA 94132-4136
Office:  (415) 338-6495
Fax:     (415) 405-0377
Email:  marc at sfsu.edu
Web:    http://plasmodium.sfsu.edu/~marc/research
(for UPS/FedEx shipments, Thornton Hall, Room 706)



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