PrologD


Customer Benefits

 

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.

 

Brief Description

 

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

  • Predicts logD at any pH based on pKa and logP prediction

  • logP calculation methods can be combined

  • Calculates the partition coefficient of macro-species (the dominant forms at a given pH)

  • Calculates the equilibrium constant of the transformation between macro-species

  • Presents results in graphical and numerical format

  • Combining multiple results

  • Ion Pairing concentration can be set

  • Exporting results to any spreadsheet editor (in TAB delimited text file format )

 

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 abc@compudrug.com

 

 



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