mol. wt. | Class | pKaa | ClogD | PSA | |
---|---|---|---|---|---|
Å2 | |||||
CNS drugs | |||||
Buspirone | 386 | Basic | 7.5 | 3.39 | 69.64 |
Caffeine | 194 | Neutral | -0.08 | 61.82 | |
Carbamazepine | 236 | Neutral | 2.67 | 46.33 | |
Carisoprodol | 260 | Neutral | 2.15 | 90.65 | |
Chlorpromazine | 319 | Basic | 9.4 | 3.36 | 31.78 |
Citalopram | 324 | Basic | 9.6 | 0.74 | 36.26 |
Clozapine | 327 | Basic | 7.1 | 3.28 | 30.87 |
Cyclobenzaprine | 275 | Basic | 9.2 | 4.42 | 3.24 |
Diazepam | 285 | Neutral | 2.96 | 32.67 | |
Ethosuximide | 141 | Neutral | 1.13 | 46.17 | |
Fluoxetine | 309 | Basic | 10.1 | 1.83 | 21.26 |
Fluvoxamine | 318 | Basic | 9.4 | 1.21 | 56.84 |
Haloperidol | 376 | Basic | 8.3 | 2.57 | 40.54 |
Hydrocodone | 299 | Basic | 8.5 | 1.20 | 38.77 |
Hydroxyzine | 375 | Basic | 7.1 | 2.27 | 35.94 |
Lamotrigine | 256 | Neutral | -0.19 | 90.71 | |
Meprobamate | 218 | Neutral | 0.70 | 104.6 | |
Methylphenidate | 233 | Basic | 10.6 | -0.28 | 38.33 |
Metoclopramide | 300 | Basic | 9.6 | 0.18 | 67.59 |
Midazolam | 326 | Neutral | 3.69 | 30.18 | |
Morphine | 285 | Basic | 8.3 | 0.33 | 52.93 |
Nortriptyline | 263 | Basic | 10.1 | 3.11 | 12.03 |
Paroxetine | 329 | Basic | 10.3 | 1.19 | 39.72 |
Phenytoin | 252 | Acid | 8.3 | 2.44 | 58.20 |
Propoxyphene | 339 | Basic | 9.2 | 3.66 | 29.54 |
Risperidone | 410 | Basic | 8.4 | 2.22 | 64.16 |
9-OH-Risperidone | 426 | Basic | 7.9 | 0.91 | 84.39 |
Selegiline | 187 | Basic | 7.5 | 2.55 | 3.24 |
Sertraline | 306 | Basic | 9.5 | 2.74 | 12.03 |
Sulpiride | 341 | Basic | 8.9 | -1.12 | 110.1 |
Thiopental | 242 | Acid | 7.8 | 2.84 | 90.29 |
Trazodone | 372 | Basic | 7.2 | 1.60 | 45.78 |
Venlafaxine | 307 | Basic | 9.3 | 2.49 | 32.70 |
Zolpidem | 277 | Basic | 6.9 | 1.07 | 37.61 |
Range | 141-426 | 6.9-10.6a | -1.12-4.42 | 3.24-110.1 | |
Mean | 297 | 8.7a | 1.86 | 48.44 | |
Non-CNS drugs | |||||
Amiodarone | 645 | Basic | 9.4 | 6.64 | 42.68 |
Loperamide | 477 | Basic | 8.1 | 4.22 | 43.78 |
Loratadine | 383 | Neutral | 6.23 | 42.43 | |
Prazosin | 383 | Basic | 7.0 | -0.01 | 107.0 |
Prednisone | 358 | Neutral | 1.56 | 91.67 | |
Quinidine | 324 | Basic | 9.3 | 1.58 | 45.59 |
Ritonavir | 721 | Neutral | 4.94 | 202.3 | |
Verapamil | 455 | Basic | 9.0 | 3.28 | 63.95 |
Range | 358-721 | 7.0-9.4 | -0.01-6.64 | 42.43-202.3 | |
Mean | 468 |
| 8.5a | 3.56 | 79.91 |
PSA, polar surface area; clogD, computed octanol/water partition coefficient.
↵ a pKa range and average reported only for bases, where indicated.