Subject: CCL: Log P programmes

From: wallacei <[email-masked]>
Date: Mon, 28 Jan 2002 09:57:40 +0000

Hi all,

I was wondering if any one knew of a good ,free, program to calculate Log P. 
Is there  any program out there that will calculate the classical Hansch 
Parameters?

Thanks

Iain

---

From: Phil Howard <[email-masked]>
Date: Mon, 28 Jan 2002 10:38:05 -0500

The LOGKOW program developed at Syracuse Research Corporation is now free 
> from the U.S. EPA website
http://www.epa.gov/oppt/exposure/docs/episuitedl.htm
along with a number of other programs for MP, BP, VP, Henry's Law constant 
and a number of environmental fate processes (biodegradation, atmospheric 
oxidation, hydrolysis, etc.).
LOGKOW is one of the more accurate fragment constant programs (e.g., see 
Tetko et al., J. Chem. Inf. Comput. Sci. 41: 1407-1421, 2001; W.M. Meylan 
and P.H. Howard. Atom/Fragment contribution method for estimating 
octanol-water partition coefficients. J. Pharm. Sci. 84:83-92, 1995).

Phil
Philip H. Howard, Ph.D.         Phone:  315-452-8417
Director                                Fax:    315-452-8440
Environmental Science Center            Email:  [email-masked]
Syracuse Research Corporation   Website http://esc.syrres.com/
6225 Running Ridge Rd.
North Syracuse, NY 13212

At 09:57 AM 1/28/02 +0000, wallacei wrote:
>-= This is automatically added to each message by mailing script =-
>[email-masked] -- To Everybody  | [email-masked] -- To Admins
>[email-masked] -- HELP CHEMISTRY or HELP SEARCH
>[email-masked] -- archive search    |    Gopher: gopher.ccl.net 70
>Ftp: ftp.ccl.net  |  WWW: http://www.ccl.net/chemistry/   | Jan: [email-masked]
>
>
>
>