| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2008 | 33 | 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) | 5.12 | 15.78 | -19.21 | 1 | 8 | 0 | 106 | 481.603 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.30 | 15.52 | -41.45 | 0 | 8 | -1 | 107 | 480.595 | 5 | ↓ |
| Mid Mid (pH 6-8) | 5.30 | 16.06 | -40.95 | 2 | 8 | 1 | 110 | 482.611 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.40 | 9.44 | -13.57 | 1 | 7 | 0 | 77 | 440.54 | 9 | ↓ |
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-(2-thienyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one](http://zinc12.docking.org/img/rings/3790.gif)