| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2008 | 32 | Yes |
Popular Name: 1-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]ethyl]quinazoline-2,4-dione 1-[2-oxo-2-[4-[5-(trifluoromethy…
| 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) | 1.91 | 8.2 | -19.19 | 1 | 8 | 0 | 91 | 447.417 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-[2-keto-2-[4-(2-pyridyl)-1,4-diazepan-1-yl]ethyl]quinazoline-2,4-quinone](http://zinc12.docking.org/img/rings/88252.gif)