| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2011 | 22 | Yes |
Popular Name: 7-methylsulfanyl-3-[(3-oxo-1,4-diazepan-1-yl)methyl]-1H-quinolin-2-one 7-methylsulfanyl-3-[(3-oxo-1,4-d…
| 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) | 1.04 | 4.92 | -49.61 | 3 | 5 | 1 | 66 | 318.422 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.04 | 2.92 | -17.72 | 2 | 5 | 0 | 65 | 317.414 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[(3-keto-1,4-diazepan-1-yl)methyl]carbostyril](http://zinc12.docking.org/img/rings/564037.gif)