[Zinc-fans] help
Filippo Marchioni
Filippo.Marchioni at cchmc.org
Mon Jul 9 08:48:08 PDT 2007
Dear ZINC users,
I am new on this mailing list and I hope my question will be
appropriate.
I notice that in compounds like ZINC01607240
(3-[4-[(4-amino-1,2-dimethyl-6-quinolyl)amino]-1,6-dimethyl-pyrimidin-2-yl]-1-(4-methoxyphenyl)-guanidine)
the pyrimidin and the quinolin group are positively charged but the
charge assigned in the mol2 file for these two nitrogen still negative.
Am I completely missing the point or there is a problem?
Thanks for your help
best
Filippo
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