[Dock-fans] Question on getting a zinc

Le Tien Dung letiendzung at yahoo.com
Thu Nov 3 17:44:37 PST 2005


Dear Kailyn,
 
I used to use the search function for getting a ZINC code. If you have the structure of the molecule, just draw it using the Java applet application at ZINC then click search. If the molecule exist, you can download. If you got more than one hits, you may have to look carefully just to get exactly your molecule.
 
Another way, I used is, search pubchem for the common name of your molecule, once you get the pubchem ID, open it and copy the SMILE string and paste onto the ZINC search window.
 
If someone find other way more easier, please share us.
 
Regards
 
Le
 
P/S. By the way, not all commercially available molecules are in ZINC, I could not found some well-known herbicides there.


Kaitlyn Hwang <hwang at mcs.anl.gov> wrote:

I am looking for the zincid for 6-hydroxymethyl-7-8-dihydropterin
What is the best way to get the Zinc? I have looked on pubchem to see
if it exist there.

Thanks for any direction.
kaitlyn


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