| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 24 | No |
Popular Name: 3-[[(Z)-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-2-propyl-quinazolin-4-one 3-[[(Z)-(3-hydroxy-4-oxo-1-cyclo…
| 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) | 1.94 | 8.21 | -20.47 | 2 | 6 | 0 | 84 | 323.352 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.94 | 8.99 | -71.02 | 1 | 6 | -1 | 87 | 322.344 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]quinazolin-4-one](http://zinc12.docking.org/img/rings/114925.gif)