TABLE 5

Physicochemical properties of compounds used in this study

CompoundLog PaLog Da (pH 7.4)pKa/pKbaPolar Surface AreabSolvent-Accessible Surface AreabMolecular Weight
Å2
4-Methylumbelliferone2.432.34pKa 8.0046.53230.19176.17
17β-Estradiol4.154.15pKa 10.2740.46436.59272.38
Indomethacin4.250.98pKa 3.9668.53476.23357.79
Diclofenac4.551.44pKa 4.1849.33361.15296.15
Triclosan5.345.20pKa 7.8029.46318.47289.54
Minoxidil−0.41−0.42pKb 5.5493.63291.22209.25
p-Toluidine1.531.53pKb 5.0426.02182.92107.15
Procainamide1.32−0.56pKb 9.0958.36406.46235.33
4-Nitrocatechol1.681.03pKa 6.8786.28198.73155.11
2,3-Dihydroxynaphthalene2.112.10pKa 9.1040.46220.46160.17
1-Chloro-2,4-dinitrobenzene2.062.06n.a.91.64233.30202.55
  • n.a., not applicable.

  • a Log P, Log D (pH 7.4), and pKa or pKb were calculated with ACD Laboratories software.

  • b Polar surface area and solvent-accessible surface area were calculated by ChemAxon software.