| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2010 | 26 | Yes |
Popular Name: 2-(azepan-1-yl)-N-(2-methylbenzo[h]quinolin-4-yl)acetamide 2-(azepan-1-yl)-N-(2-methylbenzo…
| 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) | 4.57 | 10.13 | -33.72 | 2 | 4 | 1 | 50 | 348.47 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.57 | 9.81 | -32.95 | 1 | 4 | 0 | 48 | 347.462 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.57 | 8.25 | -14.83 | 1 | 4 | 0 | 48 | 347.462 | 2 | ↓ |
| Mid Mid (pH 6-8) | 4.76 | 10.91 | -49.33 | 2 | 4 | 1 | 46 | 348.47 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.57 | 11.07 | -91.62 | 3 | 4 | 2 | 51 | 349.478 | 2 | ↓ |
