| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 25th, 2008 | 16 | Yes |
Popular Name: 1-methyl-4-[2-[(2S)-2-piperidyl]ethyl]-1,4-diazepane 1-methyl-4-[2-[(2S)-2-piperidyl]…
| 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) | 1.46 | 5.72 | -85.68 | 3 | 3 | 2 | 24 | 227.396 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.46 | 3.86 | -35.3 | 2 | 3 | 1 | 20 | 226.388 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.46 | 5.17 | -110.07 | 3 | 3 | 2 | 24 | 227.396 | 3 | ↓ |
