[Zinc-fans] how to find the compounds in SPECS?

[John J. Irwin]

Hi Lily

Thanks for your question about looking up supplier information in ZINC.

If you look up the compound in ZINC, it will give you the original 
catalog numbers.
You can also just write the URL 
http://blaster.docking.org/zinc/srchdb.pl?zinc=234 (234 is an example)
If the molecule is not found, try the previous version of zinc, zinc5, 
before giving up.
http://blaster.docking.org/zinc5/srchdb.pl?zinc=234

Good Luck!

John

Jinzhi Tan wrote:
> Dear zinc-fans,
>
> I am using the specs databse in ZINC, and then I found the molecular 
> ID is ZINC ID, like ZINC653241. How can I find the corresponding SPECS 
> ID for these compounds in SPECS database? In SPECS database, all the 
> compounds have the SPECS ID or MDL ID, but not ZINC ID. Any help is 
> appreciated. Thank you so much!
>
> Lily Tan
>