From owner-chemistry@ccl.net Sun Feb 15 13:03:01 2009
From: "Alexander Kos software+*+akosgmbh.eu" <owner-chemistry_-_server.ccl.net>
To: CCL
Subject: CCL: sources for experimental pKa data
Message-Id: <-38620-090215112616-24107-fSfG2QvFy/lvDJnqLzkWdA_-_server.ccl.net>
X-Original-From: "Alexander Kos" <software^^akosgmbh.eu>
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Date: Sun, 15 Feb 2009 16:26:23 +0100
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Sent to CCL by: "Alexander Kos" [software__akosgmbh.eu]
MDL, now Symyx Technologies Inc, had a databases with pKa values o =
ca.40'000
compounds. However, I don't know what happened with the database. If you =
are
interested, please contact me.

With best regards,
Alex


AKos Consulting & Solutions Deutschland GmbH
(AKos GmbH)
Dr. Alexander Kos
Austr. 26
D-79585 Steinen
Germany
Phone: +49 7627 970068
Fax: +49 7627 970067=20
Fax (to mail):=A0=A0 +49 1805 744743 8318
Mobile +49 171 526 9392
E-mail: software!=!akosgmbh.eu
Homepage: www.akosgmbh.de
Registered at Amtsgericht Freiburg HRB 700872, Ust-ID DE253131617, =
General
Manager: Greta Auf der Maur, Alexander Kos
Authorized agent for Symyx Technologies, Inc. (www.symyx.com), DIMENSION =
5,
Ltd. (www.miner3d.com), CompuDrug International (www.compudrug.com),
Molecular Networks GmbH (www.mol-net.de), and others.





-----Original Message-----
> From: owner-chemistry+software=3D=3Dakosgmbh.eu!=!ccl.net
[mailto:owner-chemistry+software=3D=3Dakosgmbh.eu!=!ccl.net] On Behalf Of =
Attila
Tajti tat],[chem.elte.hu
Sent: Freitag, 13. Februar 2009 18:17
To: Kos, Alexander J. 
Subject: CCL: sources for experimental pKa data


Sent to CCL by: "Attila  Tajti" [tat^^chem.elte.hu]
Dear All,

for the design of an alternative theoretical approach for pKa =
prediction, I
am looking for an easy-to-process, public or commercial database of
experimental pKa values with the highest possible number of entries and
level of chemical diversity. Text-based formats like SDFile, would be =
highly
preferred.=20
Does anyone know about a source for such a DB?
Thanks for any tip or suggestion!


Attila Tajti
tat,chem.elte.hu



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