| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2009 | 21 | Yes |
Popular Name: 1-(azepan-1-yl)-2-[4-bromo-2-(methylaminomethyl)phenoxy]ethanone 1-(azepan-1-yl)-2-[4-bromo-2-(me…
| 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) | 3.05 | 8.88 | -37.98 | 2 | 4 | 1 | 46 | 356.284 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.05 | 7.43 | -11.14 | 1 | 4 | 0 | 42 | 355.276 | 5 | ↓ |
