[Dock-fans] more valences per nitrogen than they should be?

Scott Brozell sbrozell at scripps.edu
Thu Sep 13 16:17:31 PDT 2007


I am cc-ing Zinc-fans


On Tue, 11 Sep 2007 burgosgu at ualberta.ca wrote:

> I'm just abour running a virtual screening and I just noticed that
> most of the compounds I downloaded from the zinc database have 4
> valences for nitrogen instead of 3, e.g. a nitrogen is bound to two
> carbons and two hydrogens. Is this correct? I'm afraid that this
> affect my dockings.

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