| 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) | 4.01 | 14.41 | -25.98 | 1 | 10 | 0 | 124 | 493.545 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.19 | 14.04 | -48.51 | 0 | 10 | -1 | 126 | 492.537 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.39 | 9.98 | -13.81 | 1 | 6 | 0 | 76 | 420.509 | 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)