[Zinc-fans] All-purchasable subset

[John J. Irwin]

Hi Josmar

I have exported "all purchasable" for ZINC 8, which now has 8.4M 
molecules. It should have nearly 10M in a month or so after I get a few 
more problems sorted out.

May I take this opportunity to point out that we have created several 
fun new subsets in ZINC that we have found useful, and you may too!

#17 - neutral fragments.  (51K of these)
#29 - CNS permeable (209K of these)
#33 - goldilocks - not too big, not too small, not too polar, not too 
greasy - just right. (almost 500K of these)
#50 - stiff-solubles - fairly rigid fragments that are probably quite 
soluble.


Happy docking!

John
UCSF ZINC Team


Josmar R. da Rocha wrote:
> Dear Zinc-fans,
>
> I noticed that the subset "all-purchasable" that could be downloaded 
> from Zinc 7 is no longer available in Zinc 8. I'd Like to know if the 
> only way to get this subset would be by downloading each one of the 
> files found in " By vendor /in stock" subsets or is there any other way?
>
> Thanks in advance!
>
> Josmar Rocha
>
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