| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2011 | 26 | No |
Popular Name: (3S)-3-[(3S)-5-isobutyl-2-(2-pyridyl)-3,4-dihydro-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one (3S)-3-[(3S)-5-isobutyl-2-(2-pyr…
| 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) | 3.10 | 7.49 | -116.33 | 3 | 7 | 2 | 86 | 350.426 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.10 | 7.41 | -180.78 | 4 | 7 | 3 | 87 | 351.434 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[2-(2-pyridyl)-3,4-dihydro-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one](http://zinc12.docking.org/img/rings/404343.gif)