Physicochemical properties of the eight compounds
| Compound | Molecular Weight | Class | pKaa | clogD7.4a |
|---|---|---|---|---|
| Carbamazepine | 236.3 | Neutral | 2.9 | |
| Citalopram | 324.4 | Basic | 9.46 | 2.1 |
| Desmethylclozapine | 312.8 | Basic | 8.42/4.39 | 2.9 |
| Diphenhydramine | 255.4 | Basic | 8.56 | 2.3 |
| Gabapentin | 171.2 | Zwitterionic | 3.99(a)/10.4(b) | −1.7 |
| Metoclopramide | 299.8 | Basic | 8.95 | 0.35 |
| Naltrexone | 341.4 | Basic | 7.39 | 0.54 |
| Stavudine | 224.2 | Neutral | −0.72 |
↵a Calculated pKa using Moka software (version 2.0) (Milletti et al., 2007).