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Dear all,
has anyone any references on pKa databases or free softwares for pKa
predictions available on the web?
Thanks...
Federica Vacondio
Dipartimento Farmaceutico
Universitą degli Studi di Parma
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The following message was posted to: PharmPK
Please try ChemSilico website. Their program allows for 50 free
calculations.
Ving Lee
Anacor Pharmaceuticals, Inc.
Palo Alto, California
[The website is http://www.chemsilico.com/ - db]
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The following message was posted to: PharmPK
"Federica Vacondio"wrote:
>> "... pKa databases or free softwares for pKa predictions...">>
Dear Federica:
Check these three web sites:
1) pKa Data Compiled by David Ripin and David Evans for Chem 115 at
Harvard University:
http://daecr1.harvard.edu/pKa/pka.html
2) Bordwell pKa Table:
http://www.chem.wisc.edu/areas/reich/pkatable/index.htm
3) property predictors:
http://www.chemsilico.com/
Best wishes.
Janusz Z. Byczkowski, Ph.D.,D.Sc.,D.A.B.T.
Consultant
212 N. Central Ave.
Fairborn, OH 45324
voice (937)878-5531
secure fax (702)446-9127
e-mail januszb.aaa.AOL.com
homepage: http://members.aol.com/JanuszB/index.html
JZB Consulting web site: http://members.aol.com/JanuszB/consult.htm
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