| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2009 | 28 | Yes |
Popular Name: 6-(azepan-1-yl)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide 6-(azepan-1-yl)-N-[(2S)-2-(dimet…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.50 | 9.62 | -52.65 | 2 | 5 | 1 | 50 | 385.507 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.50 | 7.28 | -10.39 | 1 | 5 | 0 | 48 | 384.499 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.50 | 9.86 | -115.65 | 3 | 5 | 2 | 51 | 386.515 | 6 | ↓ |
