Subject: calculate pKas summary

From: "Felice Chu" <[email-masked]>
Date: Wed, 2 Aug 1995 16:03:04 -0700

Hello,

My original post asked if there was a program out
there that could predict the pKas of organic acids,
specifically dicarboxylic acids.

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Basically, I received 2 responses, but only for 1 program.
It seems that there is a program called pKalc 3.1 which can
predict pKas based on the Taft Hammett equations.  This
program is available from 2 distributors:

	(1) BioSoftware Marketing
	    4151 Middlefield Rd. Ste 109
	    Palo Alto, CA   94303-4743
	    (415) 858-0522

	(2) ARSoftware
	    8201 Corporate Drive, Suite 1110
	    Landover, Maryland   20785
	    (301) 459-3773

It seems that pKalc 3.1 is an add-on module of the PALLAS
system.

There also seems to be a program called SPARC by Dr. Sam
Karickhoff from the U.S. Environmental Protection Agency.
But, I don't have any more information about it.

Thank you to these 2 companies who sent me information
and thanks to Eric Martin and Brian Teppen for there
help.

Hope this is useful.

Felice Chu
Dept. of Chem.
Univ. of Calif.
Santa Barbara, CA  93106

[email-masked]