| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2009 | 20 | Yes |
Popular Name: N-[[4-bromo-2-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl]propan-1-amine N-[[4-bromo-2-(4-methyl-1,4-diaz…
| 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) | 3.38 | 10.58 | -95.02 | 3 | 3 | 2 | 24 | 342.325 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.38 | 8.6 | -42.06 | 2 | 3 | 1 | 23 | 341.317 | 5 | ↓ |
