| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 18 | Yes |
Popular Name: 1-(3-bromophenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanone 1-(3-bromophenyl)-2-(4-methyl-1,…
| 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) | 2.44 | 7.64 | -37.38 | 1 | 3 | 1 | 25 | 312.231 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.44 | 5.15 | -9.03 | 0 | 3 | 0 | 24 | 311.223 | 3 | ↓ |
