| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 15th, 2010 | 17 | Yes |
Popular Name: 1-(1,4-diazepan-1-yl)-3-[(3S)-3-piperidyl]propan-1-one 1-(1,4-diazepan-1-yl)-3-[(3S)-3-…
| 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) | -0.02 | 4.92 | -96.34 | 4 | 4 | 2 | 54 | 241.379 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.02 | 3.58 | -48.06 | 3 | 4 | 1 | 49 | 240.371 | 3 | ↓ |
