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Table 4 Values of QSAC, VSAC, KpSAC, and various physicochemical parameters

From: Utility of a single adjusting compartment: a novel methodology for whole body physiologically-based pharmacokinetic modelling

Compound SAC input parameter Physicochemical parameter acidic/neutral/basic/zwitterionic
  Q V Kp VKpa M.W. clogP cMR tPSA  
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
  1. aVKp represents the product of V and Kp.