Table 3. Physicochemical Properties of the Model Drugsa.
| drug | pharmacological class | ionization | pKa | MW (g·mol–1) | log P | ΔHf (kJ·mol–1) | Tm (K) | Tg (K) |
|---|---|---|---|---|---|---|---|---|
| ATV | anti-HIV | weak base | 4.4 | 704.86 | 3.4 | 74 (1.9) | 484 (0.6) | 377 |
| RTV | anti-HIV | weak base | 3.7 | 720.95 | 4.2 | 49.7 (7.5) | 399 (0.2) | 322 |
| FDN | CCB | neutral | n/a | 384.26 | 3.9 | 29.2 (8.2) | 420 (0.1) | 318 |
| IPM | TLD | weak acid | 8.8 | 365.84 | 2.2 | 32.3 (0.4) | 435 (0.4) | 373 |
a
HIV: human immunodeficiency virus, CCB: calcium channel blocker, TLD: thiazide-like diuretic, pKa: acid dissociation constant, MW: molecular weight, log P: log partition coefficient between octanol and water, ΔHf: heat of fusion, Tm: onset of melting, Tg: glass transition temperature at inflection and n/a: not applicable. Standard deviation reported based on triplicates in parenthesis. Details of FDN and IPM characterization can be found in our previous work.14