| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2011 | 29 | Yes |
Popular Name: 4-[2-[(4-benzylpiperazin-1-yl)methyl]oxazole-4-carbonyl]-1,4-diazepan-2-one 4-[2-[(4-benzylpiperazin-1-yl)me…
| 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) | 0.98 | 4.61 | -43.58 | 2 | 8 | 1 | 83 | 398.487 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.98 | 2.36 | -13.56 | 1 | 8 | 0 | 82 | 397.479 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.98 | 4.63 | -41 | 2 | 8 | 1 | 83 | 398.487 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4-[2-[(4-benzylpiperazino)methyl]oxazole-4-carbonyl]-1,4-diazepan-2-one](http://zinc12.docking.org/img/rings/599290.gif)