Compound | Classa | clogP | cpKa1 | cpKa2 |
---|---|---|---|---|
Cefotetan | A | 2.34 | 1.69 | 2.64 |
Cefazolin | A | 1.13 | 2.60 | 11.40 |
Cefpiramide | A | 0.07 | 2.62 | 9.47 |
Cefoperazone | A | 1.43 | 2.62 | 9.49 |
Furosemide | A | 3.00 | 3.04 | 9.79 |
Diclofenac | A | 4.06 | 4.18 | |
Rosuvastatin | A | 0.42 | 4.25 | |
Fluvastatin | A | 3.62 | 4.27 | |
Warfarin | A | 3.42 | 4.50 | |
Ethinylestradiol | N | 4.52 | 10.24 | |
Cyclosporine | N | 3.35 | ||
TC1 | N | 2.84 | 1.90 | |
TC2 | N | 2.57 | 2.14 | |
TC3 | N | 1.79 | 2.15 | |
Diazepam | N | 2.96 | 3.40 | |
TC4 | N | 6.33 | 4.89 | 3.87 |
TC5 | N | 2.82 | 5.09 | |
Midazolam | N | 3.93 | 5.56 | |
TC6 | N | 2.86 | 5.75 | |
TC7 | N | 3.98 | 5.92 | |
TC8 | N | 3.20 | 5.93 | |
Nicardipine | N | 5.13 | 7.29 | 2.61 |
TC9 | B | 2.48 | 8.03 | 3.01 |
Erythromycin | B | 2.83 | 8.16 | |
Lidocaine | B | 2.36 | 8.53 | 1.62 |
Verapamil | B | 3.90 | 8.97 | |
Propranolol | B | 3.10 | 9.14 | |
Metoprolol | B | 1.79 | 9.17 | |
Quinidine | B | 3.44 | 9.28 | 4.77 |
Propafenone | B | 3.93 | 9.29 | |
Irinotecan | B | 4.67 | 9.33 | 5.43 |
Imipramine | B | 4.80 | 9.49 | |
Citalopram | B | 2.51 | 9.57 | |
Disopyramide | B | 2.86 | 10.10 | 3.71 |
Naltrexone | Z | 1.80 | 9.16 | 7.53 |
Dasatinib | Z | 3.39 | 10.94 | 6.59 |
A, acids; B, bases; N, neutrals; Z, zwitterions.
↵a Compounds were considered to be neutral if they were primarily un-ionized around physiological pH, i.e., pKa < 7.4 for bases and pKa > 7.4 for acids.