| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 19 | Yes |
Popular Name: [4-(4-methyl-1,4-diazepan-1-yl)-1-propyl-4-piperidyl]methanamine [4-(4-methyl-1,4-diazepan-1-yl)-…
| 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) | 0.68 | 5.49 | -179.49 | 5 | 4 | 3 | 40 | 271.473 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.68 | 5.17 | -83.15 | 4 | 4 | 2 | 38 | 270.465 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.68 | 3.05 | -110.95 | 4 | 4 | 2 | 39 | 270.465 | 4 | ↓ |
