RE: QSAR - pKa and logD calculation

Oliver,

See

http://www.acdlabs.com/products/
http://www.compudrug.com/inside.php

Please contact the vendors for free evaluations.

Merry Christmas,
Han

-----Original Message-----
From: Oliver Hucke [mailto:ohucke*_*u.washington.edu]
Sent: 18 December 2003 21:33
To: QSAR society
Subject: QSAR - pKa and logD calculation

NB: Unless you reset the To: line, your reply goes to the entire list

---
Dear all,
can somebody recommend a software for the calculation of pKa and logD 
values? Are any validated free programs available?
Thanks very much in advance,
Oliver
-- 
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Oliver Hucke, Dr.
                               Health Sciences Building - K418C
University of Washington      1959 NE Pacific St.
Dept. of Biochemistry         phone: (206) 685 7046
Box 357742                    fax  : (206) 685 7002
Seattle, WA 98195-7742        email: ohucke%a%u.washington.edu
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