| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 20 | Yes |
Popular Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-1-ethyl-1,4-diazepan-5-one 4-[2-(azepan-1-yl)-2-oxo-ethyl]-…
| 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) | 0.97 | 8.05 | -48.89 | 1 | 5 | 1 | 45 | 282.408 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.97 | 6.08 | -12.12 | 0 | 5 | 0 | 44 | 281.4 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4-[2-(azepan-1-yl)-2-keto-ethyl]-1,4-diazepan-5-one](http://zinc12.docking.org/img/rings/367576.gif)