Logiciels scientifiques > Physicochimie    PAGE EN COURS DE TRADUCTION

This program provides an indispensable resource for predicting acidic and basic pKa values before synthesis, such as in diversity calculations for combinatorial chemistry, in QSAR, in evaluating the synthesis possibilities, or in characterizing substance libraries. 

Logiciels scientifiques > Physicochimie    PAGE EN COURS DE TRADUCTION

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.

Logiciels scientifiques > Physicochimie    PAGE EN COURS DE TRADUCTION

PrologP calculates the accurate logP values (negative logarithms of the n-octanol/water partition coefficient) for organic compounds, in most cases, within an error range that is not significantly higher than the measurement error of the actual logP value.