| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 2nd, 2010 | 24 | Yes |
Popular Name: 2-(azepan-1-yl)-N-(2,6,8-trimethyl-4-quinolyl)acetamide 2-(azepan-1-yl)-N-(2,6,8-trimeth…
| 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) | 4.21 | 9.17 | -32.86 | 2 | 4 | 1 | 50 | 326.464 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.21 | 7.16 | -15.11 | 1 | 4 | 0 | 48 | 325.456 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.21 | 10.13 | -87.49 | 3 | 4 | 2 | 51 | 327.472 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.40 | 10.26 | -84.03 | 3 | 4 | 2 | 48 | 327.472 | 3 | ↓ |
