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PrologD is an invaluable tool in the calculation of drug absorption and elimination, and in solving other drug discovery problems. It is also useful when the experimental determination of lipophilicity is difficult or impossible, for example, if logD values which are too high or too low, or if the compound decomposes during the measurement.
CompuDrug´s PrologD calculates a good estimation for the "true" value of logD, which characterizes compounds with dissociable groups, i.e. practically all of the structures, which you will encounter in medicinal chemistry. The calculation accounts for all possible interactions of the dissociable groups by an approach developed by the authors of the software and published (J. Pharm. Sci., 86(7), 865-871, 1997 and J. Pharm. Sci., 86 (10), 1173-1179, 1997). The results are displayed in an easy interpretable graph showing the variation of the logP value. Charges of the ionic strengths can also be accounted for.
Features at a Glance
PrologD is operating under the following computing platforms: Windows/Linux, Web application, Software Development Kit
If you need more information about our product, please e-mail CompuDrug International at firstname.lastname@example.org