| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 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) | 3.54 | 12.31 | -23.18 | 2 | 10 | 0 | 135 | 479.518 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.71 | 12.24 | -42.32 | 1 | 10 | -1 | 137 | 478.51 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.88 | 11.85 | -42.35 | 1 | 10 | -1 | 137 | 478.51 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.54 | 13.16 | -71.99 | 1 | 10 | -1 | 138 | 478.51 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.83 | 7.81 | -18.58 | 2 | 7 | 0 | 88 | 423.513 | 6 | ↓ |
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-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one](http://zinc12.docking.org/img/rings/110786.gif)