| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 17th, 2011 | 26 | Yes |
Popular Name: 3-[5-isobutyl-2-(2-pyridyl)-1,2,4-triazol-3-yl]-1H-quinoxalin-2-one 3-[5-isobutyl-2-(2-pyridyl)-1,2,…
None
| 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) | 2.45 | 9.73 | -19.63 | 1 | 7 | 0 | 89 | 346.394 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.36 | 7.8 | -63.48 | 0 | 7 | -1 | 92 | 345.386 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[2-(2-pyridyl)-1,2,4-triazol-3-yl]-1H-quinoxalin-2-one](http://zinc12.docking.org/img/rings/594329.gif)