| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 8th, 2011 | 25 | 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) | 0.91 | 3.9 | -61.3 | 1 | 8 | -1 | 119 | 335.347 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.73 | 5.46 | -60.96 | 1 | 8 | -1 | 111 | 335.347 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]iminomethyl]-2,5,6,7-tetrahydroindol-4-one](http://zinc12.docking.org/img/rings/360888.gif)