pKa calculations

From: Jan Torleif Pedersen <jan #*at*# Acadia-Pharm.com>
Organization: Acadia Pharmaceuticals (Denmark)
Subject: pKa calculations
Date: Wed, 11 Feb 1998 07:47:55 +0100

 Dear CCLers,
 I am trying to calculate some pKa values for a set of small organic
 analogs, I would
 be interested in getting some ideas to what is out there in terms of
 software that can
 do this by empirical or semi-empirical methods. I am aware of one such
 code the PALLAS
 program from CompuDrug but I would be interested in a number of
 different methods.
                                                         -- Jan
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                         Dr. Jan T. Pedersen
                         Head of Computational Chemistry
                         Acadia Pharmaceuticals
                         Fabriksparken 58
                         2600 Glostrup, DENMARK
                         email : jan #*at*# Acadia-Pharm.com
                         phone : +45 43 29 30 05
                         FAX : +45 43 29 30 30
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