Subject: PROGRAM TO CALCULATE LOG(P)

From: <[email-masked]>
Date: Tue, 24 May 1994 17:10:03 -0600 (CST)

DEAR NETTERS,

I'M LOOKING FOR A PROGRAM THAT WILL CALCULATE (PREDICT) THE LOG(P) OF
PROTEINS AND OF ORGANIC COMPOUNDS. I WANT TO ESTIMATE THE HYDROPHOBIC/
HYDROPHILIC INDEX FOR A SERIES OF THESE COMPOUNDS.  CAN ANYONE SUGGEST 
ANY PROGRAMS? THANKS ...

BILL WELSH
DEPT. OF CHEMISTRY
UNIV. OF MISSOURI-ST. LOUIS

---

From: Tudor Oprea <[email-masked]>
Date: Tue, 24 May 1994 16:41:03 -0500 (CDT)

Bill,

If you have either Sybyl, Insight II or Chem-X, then you should get HINT! 2.0 -
available from EduSoft (Ashland, VA). E-mail [email-masked]. The program
was developed by Glen Kellogg and Donald Abraham - see J Comput Aided Mol Design
5 (1991) 545-552, and the 2.0 version includes a HintLogP estimation. This is an
aftermarket product sold independently for users of the above programs. The
Insight version is interfaced with Daylight Toolkit. 

For PC users (also available for workstations), you can get PCModels, available
>from Daylight CIS (Santa Fe, NM). Contact Yosef Taitz ([email-masked]) for
details. The newest version of CLogP is CLogP3, which is included in PCModels.
This is also marketed by Biobyte (Claremont, CA), and is authored by Albert Leo
and David Weininger. 

Both EduSoft and Daylight offer substantial discounts for academic users.

Hope this helps.

Tudor

                                                     ==========================
  Tudor-Ionel Oprea                                  = Tel. (1-314) 935 4672  =
  Research Associate                                 = Fax. (1-314) 935 4979  =
  Washington University Center for Molecular Design  = Email:                 =
  Lopata 510, Box 1099, One Brookings Drive          = [email-masked]  =
  St.Louis MO 63130                                  ==========================