Physicochemical property
distribution and statistics of the inhibitor
(Act, in green) and noninhibitor (NAct,
in red) classes. Each corresponding binding type (covalent (Cov) upper
and noncovalent (NCov) above) is shown for MW, C log P, C log D, log S, HBA, HBD, TPSA, flexibility, and ROTBS. N indicates the total number of compounds considered in each analysis.
A two-sided Student’s t-test was used to determine
the statistical significance of active and inactive compounds, among
those classified as covalent or noncovalent inhibitors, and the p values were evaluated (ns p-value >0.05,
*p value <0.05, **p value <0.01,
***p value <0.001, ****p value
<0.0001; Md, median; Mn, mean).