Interactive LogKow (KowWin)
Demo
This online interactive demo will calculate log P
(octanol-water partition coefficient) and retrieve experimental log P
data from our experimental database of 13,000 compounds. If
experimental data is available, it is listed below the estimation.
The chemical structure must be entered as a SMILES notation (there is a
100 character limit for this demo) or CAS number (see below). Although
this on-line demo is a working version of SRC's
LOGKOW / KOWWIN Program, it does not contain
the advanced features found in the actual program. Information on how
to
create a SMILES notation
and a list of
example SMILES notations are also available.
Also, see links below to other Internet log P calculators.
Please Note:
This on-line demo is intended to demonstrate the methodology used in the
KowWin program.
Instead of
entering a SMILES Notation, you can also enter a CAS (Chemical Abstract
Service) Registry number. However, the CAS number must be in our
SMILECAS Database which contains more than
103,000 chemicals.
Other Internet log P
calculators:
Interactive Analysis's LogP Program - an
excellent neural network implementation of E-State indices designed by
IA President Marc Parham.
Daylight's ClogP Program
- follow their On-line Demo links to the ClogP demo.
VCC-Lab Program
- a neural network implementation of E-State indices ... also compares
logP and logS calculated using several different programs.
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