| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 24 | Yes |
Popular Name: 1-[[5-(1-piperidylmethyl)-2-thienyl]methyl]-4-propyl-1,4-diazepan-5-one 1-[[5-(1-piperidylmethyl)-2-thie…
| 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) | 2.95 | 12.05 | -99.03 | 2 | 4 | 2 | 29 | 351.56 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.95 | 7.73 | -9.5 | 0 | 4 | 0 | 27 | 349.544 | 6 | ↓ |
