Table 1. Physicochemical Properties of the Compoundsa.
| compound | Mw (g/mol) | A/B/N | pKa | logP | Tm (°C) |
|---|---|---|---|---|---|
| Danazol | 337.5 | N | na | 4.9 | 227 |
| Griseofulvin | 352.8 | N | na | 2.2 | 217 |
| Felodipine | 384.3 | N | na | 3.6 | 143 |
| Indomethacin | 357.8 | A | 3.9 | 4.2 | 160 |
| Niclosamide | 327.1 | A | 10.3 and 8.1 | 3.6 | 231 |
| Haloperidol | 375.9 | B | 8.6 | 3.9 | 151 |
| Cinnarizine | 368.6 | B | 7.5 | 5.5 | 119 |
| Ketoconazole | 531.4 | B | 3.4 and 6.3 | 3.9 | 146 |
a
Molecular weight (Mw), and the partition coefficient between octanol and water (logP) was calculated with DragonX 6.0.16 (Talete, Italy). pKa was adapted from the literature49 except for niclosamide, which was predicted with ADMET Predictor v7.1 (Lancaster, CA). Melting point (Tm) was determined with differential scanning calorimetry (see Experimental Section). Abbreviations: acid (A); base (B); neutral in the pH range 2–12 (N), not applicable (na).