Table 3

More # of non-H, # of non-H polar bonds and # of rotatable bonds could increase the potency of HIV Protease Inhibitors.

Precursor

Structure

pKi


#17 pKi: 9.28

+ 2.11% (× 25.3)


#17 pKi: 9.28

+ 2.04% (× 25.3)


#17 pKi: 9.28

+ 1.95% (× 25.2)


Liu et al. BMC Bioinformatics 2011 12:294   doi:10.1186/1471-2105-12-294

Open Data