| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 19 | Yes |
Popular Name: 1-ethyl-4-[2-oxo-2-(1-piperidyl)ethyl]-1,4-diazepan-5-one 1-ethyl-4-[2-oxo-2-(1-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) | 0.46 | 7.08 | -49.85 | 1 | 5 | 1 | 45 | 268.381 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.46 | 5.11 | -13.18 | 0 | 5 | 0 | 44 | 267.373 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
