No. | Compound Name | Mol. Wt. | TPSA | LogD | pKa | Ionic Label |
---|---|---|---|---|---|---|
1 | Amantadine | 151 | 26.0 | −0.69 | 10.8 | Base |
2 | Amfebutamone | 240 | 29.1 | 3.27 | 7.16 | Base |
3 | Aprepitant | 534 | 83.2 | 4.10 | N.A. | Neutral |
4 | Aripiprazole | 448 | 44.8 | 5.54 | 6.71 | Base |
5 | Azelastine | 382 | 38.1 | 1.80 | 9.16 | Base |
6 | Bromocriptine | 655 | 118 | 5.07 | 6.72 | Base |
7 | Bupivacaine | 288 | 32.3 | 3.15 | 8.17 | Base |
8 | Buspirone | 386 | 69.6 | 3.37 | 6.73 | Base |
9 | Carbamazepine | 236 | 46.3 | 2.67 | N.A. | Neutral |
10 | Chlorpromazine | 319 | 6.48 | 2.87 | 9.41 | Base |
11 | Chlorpropamide | 277 | 75.3 | 0.32 | 4.64 | Acid |
12 | Citalopram | 324 | 36.3 | 0.39 | 9.57 | Base |
13 | Clinafloxacin | 366 | 88.6 | −0.61 | 6.00, 9.09 | Zwitterion |
14 | Clomipramine | 315 | 6.48 | 3.54 | 9.46 | Base |
15 | Desipramine | 266 | 15.3 | 1.43 | 10.4 | Base |
16 | Diphenhydramine | 255 | 12.5 | 2.29 | 8.76 | Base |
17 | Donepezil | 379 | 38.8 | 3.30 | 8.80 | Base |
18 | Entacapone | 305 | 128 | 0.36 | 5.15 | Acid |
19 | Fluvoxamine | 318 | 56.8 | 1.15 | 9.39 | Base |
20 | Ibutilide | 385 | 69.6 | 1.75 | 9.95 | Base |
21 | Indomethacin | 358 | 68.5 | −0.16 | 3.96 | Acid |
22 | Lidocaine | 234 | 32.3 | 1.57 | 8.53 | Base |
23 | Metoclopramide | 300 | 67.6 | 0.04 | 9.65 | Base |
24 | Nicardipine | 480 | 111 | 4.88 | 7.30 | Base |
25 | Nimodipine | 418 | 117 | 3.85 | N.A. | Neutral |
26 | Nomifensine | 238 | 29.3 | 1.46 | 7.85 | Base |
27 | Nortriptyline | 263 | 12.0 | 3.17 | 10.0 | Base |
28 | Paliperidone | 426 | 84.4 | 0.96 | 7.86 | Base |
29 | Paroxetine | 329 | 39.7 | 1.19 | 10.3 | Base |
30 | Phenytoin | 252 | 58.2 | 2.49 | N.A. | Neutral |
31 | Reboxetine | 313 | 39.7 | 1.80 | 8.37 | Base |
32 | Rifampin | 823 | 220 | −1.43 | 4.96, 7.30 | Zwitterion |
33 | Riluzole | 234 | 48.1 | 2.84 | N.A. | Neutral |
34 | Rimonabant | 464 | 50.2 | 6.01 | N.A. | Neutral |
35 | Ritonavir | 721 | 146 | 5.28 | N.A. | Neutral |
35 | Rivastigmine | 250 | 32.8 | 0.93 | 8.62 | Base |
37 | Sertraline | 306 | 12.0 | 2.77 | 9.47 | Base |
38 | Solifenacin | 362 | 32.8 | 2.07 | 9.03 | Base |
39 | Talinolol | 363 | 82.6 | 1.35 | 9.16 | Base |
40 | Telmisartan | 515 | 72.9 | 4.76 | 3.83 | Acid |
41 | Terodiline | 281 | 12 | 1.38 | 10.5 | Base |
42 | Tolcapone | 273 | 101 | 1.89 | 4.78 | Acid |
43 | Trazodone | 372 | 45.8 | 1.61 | 6.72 | Base |
44 | Tropisetron | 284 | 45.3 | 1.04 | 10 | Base |
45 | UK-240455a | 368 | 123 | −1.27 | 7.96 | Acid |
46 | Warfarin | 308 | 67.5 | 0.61 | 4.5 | Acid |
47 | Zonisamide | 212 | 86.2 | −0.1 | N.A. | Neutral |
N.A., not applicable.
↵a Data from Deur et al. (2007).