Table 4 Values of QSAC, VSAC, KpSAC, and various physicochemical parameters
Compound | SAC input parameter | Physicochemical parameter | acidic/neutral/basic/zwitterionic | ||||||
|---|---|---|---|---|---|---|---|---|---|
| Â | Q | V | Kp | VKpa | M.W. | clogP | cMR | tPSA | Â |
Tolbutamide | 2850 | 330 | 0.5 | 165 | 270 | 2.5 | 7.1 | 93 | acidic |
Diclofenac | 3120 | 300 | 0.3 | 90 | 296 | 4.7 | 7.7 | 59 | acidic |
Midazolam | 3400 | 500 | 1 | 500 | 326 | 3.2 | 9.1 | 25 | neutral |
Diazepam | 3130 | 380 | 2 | 760 | 285 | 3.2 | 8.1 | 36 | neutral |
Phenytoin | 3120 | 5 | 0.3 | 1.5 | 252 | 2.1 | 7.2 | 70 | basic |
Imipramine | 3120 | 790 | 8 | 6320 | 280 | 5.0 | 9.0 | 5 | basic |
Lidocaine | 3670 | 500 | 2 | 1000 | 234 | 2.0 | 7.2 | 38 | basic |
Gatifloxacin | 2830 | 800 | 1 | 800 | 375 | -0.69 | 9.8 | 101 | zwitterionic |
Grepafloxacin | 2810 | 300 | 1 | 300 | 359 | -0.13 | 9.6 | 87 | zwitterionic |
Gemifloxacin | 2470 | 100 | 1 | 100 | 389 | -0.89 | 9.9 | 133 | zwitterionic |
Pazufloxacin | 2920 | 430 | 1 | 430 | 318 | -0.87 | 8.0 | 108 | zwitterionic |
Enoxacin | 2970 | 455 | 5 | 2275 | 320 | -1.8 | 8.2 | 98 | zwitterionic |
Fleroxacin | 2840 | 100 | 1 | 100 | 369 | -0.65 | 8.9 | 77 | zwitterionic |
Lomefloxacin | 2870 | 650 | 6 | 3900 | 351 | -0.30 | 8.9 | 87 | zwitterionic |