CCL: Calculation of pka

[Szabolcs Csepregi <scsepregi(0)chemaxon.com>]

 Sent to CCL by: Szabolcs Csepregi [scsepregi__chemaxon.com]
 Hi Kevin,
Marvin has a pka calculator plugin. You can get a free license if you
 are in academia:
 http://www.chemaxon.com/forum/ftopic193.html
 Otherwise, you can use the online version for unlimited calculations:
 http://www.chemaxon.com/marvin/doc/dev/example-sketch1.1.html
(Use the Tools/pka menu of the applet. Without license, the downloaded
 program only allows one prediction until the program is restarted.)
 I hope this helps,
 Szabolcs
 Szabolcs Csepregi, PhD
 Cheminformatics Scientist, ChemAxon Ltd.
 http://www.chemaxon.com
 Skype: szabolcs.csepregi
 Tel: +36 1 3878564   Cell: +36 20 4219863   Fax: +36 1 4532659
 kevin abbot kevanabbot]![yahoo.com wrote:
>  Hi folks,
>    My question is really simple: are there some programs (free of charge) that
>  permit to calculate pka of a determinated compound?
>    Any help is appreciated
>  
>    Kevin