| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 37 | No |
Popular Name: [4-[(9R)-6,6-dimethyl-8-oxo-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-yl]phenyl] [4-[(9R)-6,6-dimethyl-8-oxo-4,5,…
| 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) | 2.93 | 15.41 | -25.36 | 1 | 10 | 0 | 125 | 497.511 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.27 | 15.68 | -41.4 | 2 | 10 | 1 | 130 | 498.519 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.11 | 16 | -59.11 | 2 | 10 | 1 | 130 | 498.519 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.68 | 14.26 | -53.67 | 1 | 10 | -1 | 131 | 496.503 | 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-phthalimidoacetic Acid [4-(8-keto-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-9-yl)phenyl] Ester](http://zinc12.docking.org/img/rings/123420.gif)