AW: QSAR - pKa and logD calculation

Dear Oliver

There is also a logD calculation in Pipeline Pilot.

With best regards,
Alexander Kos

------------------------------------
AKos Consulting & Solutions GmbH
Dr. Alexander Kos
P.O.Box 460
Picassoplatz 4
CH-4010 Basel
Tel. +41 61 271 6487
Fax +41 61 271 6488
Address in Germany:
Austr. 26
D-79585 Steinen
Germany
Phone: +49 7627 970068
Fax: +49 7627 970067
Mobile +49 171 526 9392
E-mail: akos_+_akosgmbh.de
Homepage: www.akosgmbh.de
Authorized agent for:
MDL Information Systems, Inc. (www.mdli.com and www.beilstein.com)
Material Science International Services, GmbH (www.matport.com)
DIMENSION 5, Ltd. (www.miner3d.com)
NovaTek (www.ntint.com)
CompuDrug (www.compudrug.com)
------------------------------------

-----Ursprüngliche Nachricht-----
Von: qsar_society-admin~~accelrys.com
[mailto:qsar_society-admin,accelrys.com] Im Auftrag von
han_waterbeemd(a)sandwich.pfizer.com
Gesendet: Freitag, 19. Dezember 2003 17:11
An: qsar_society(-)accelrys.com
Betreff: RE: QSAR - pKa and logD calculation

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

---
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
-- 
_______________________________________________________________
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
_______________________________________________________________
_______________________________________________
qsar_society mailing list
qsar_society : accelrys.com
http://ftp2.accelrys.com/mailman/listinfo/qsar_society
_______________________________________________
qsar_society mailing list
qsar_society]_[accelrys.com
http://ftp2.accelrys.com/mailman/listinfo/qsar_society