Abstract:
: Among the physicochemical properties, pKa and LogP values help us in studying drug parameters like ADME
and could be predicted to some extent. With this view, here we wish to predict these two properties of our previously
synthesized biologically active derivatives of isoniazid using on-line available program Marvin, a Java-based chemical
software application frequently used for chemical modeling. According to Marvin, pKa values predicted 99.99%
unionized states of INH and some derivatives at physiological pH 7.4. Marvin calculated LogP values estimated good
oral absorption for all the synthesized compounds. Therefore it can be said that the findings of the study emerged in an
ideal region that permits the formulation of these derivatives. Since this was just a theoretical study, it demands more
experimentation to determine accurate situation.
