| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 35 | No |
| 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) | 5.61 | 17.43 | -19.74 | 1 | 8 | 0 | 106 | 487.585 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.78 | 17.16 | -44.22 | 0 | 8 | -1 | 107 | 486.577 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.79 | 8.48 | -14.91 | 1 | 6 | 0 | 68 | 382.46 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one](http://zinc12.docking.org/img/rings/3791.gif)
![2-(benzylthio)-9-styryl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one](http://zinc12.docking.org/img/rings/113043.gif)