| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 18 | Yes |
Popular Name: [4-(aminomethyl)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone [4-(aminomethyl)phenyl]-(4-methy…
| 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) | 0.25 | 5.38 | -110.63 | 4 | 4 | 2 | 52 | 249.358 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.25 | 3.37 | -58 | 3 | 4 | 1 | 51 | 248.35 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.25 | 4.98 | -47.83 | 3 | 4 | 1 | 51 | 248.35 | 2 | ↓ |
