MacLogP
ClogP is now available for the Macintosh
Previously available only for VAX/VMS computers and UNIX workstations,
the CLOGP program is now available for stand-alone operation on the Macintosh
platform. An input window accepts structures in SMILES notation
(singly or in batch mode) or by common name for most drugs and pesticides.
An Output window shows the results in terse, detailed, or
verbose fashion, together with the accepted measured value, if
available. These can be viewed along with the structure in
a depict window, which highlights all polar fragments.
MacLogP offers several unique features:
- It has a database of 9,000 carefully reviewed, measured
octanol/water values for drugs, pesticides and environmentally
important compounds.
- It is not necessary to enter the SMILES for many complex compounds
of great interest (e.g. DDT, AZT, etc.) as name entry will suffice.
Further, SMILES can be graphically generated in programs such as
Chemdraw Plus and pasted into MacLogP.
- It is not a 'black box'. It provides the user with an
understandable breakdown of how the estimations are arrived at. Click
here
to view samples of ClogP output.
Contact BioByte today to receive a free evaluation copy!
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Michael L. Medlin
al@biobyte..com
