| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 34 | 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) | 5.97 | 13.71 | -18.99 | 2 | 6 | 0 | 80 | 489 | 4 | ↓ |
| Hi High (pH 8-9.5) | 6.14 | 13.7 | -47.33 | 1 | 6 | -1 | 82 | 487.992 | 4 | ↓ |
| Hi High (pH 8-9.5) | 5.97 | 14.63 | -59.18 | 1 | 6 | -1 | 83 | 487.992 | 4 | ↓ |
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-(1-naphthyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one](http://zinc12.docking.org/img/rings/118546.gif)