| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2011 | 25 | Yes |
| 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) | -0.15 | 4.71 | -65.15 | 4 | 8 | 1 | 105 | 340.411 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.15 | 3.37 | -17 | 3 | 8 | 0 | 101 | 339.403 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.15 | 5.15 | -95.76 | 5 | 8 | 2 | 106 | 341.419 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[3,4-g][1,4]diazepine](http://zinc12.docking.org/img/rings/1805.gif)
![N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[3,4-g][1,4]diazepin-3-ylmethyl)-1H-benzimidazole-5-carboxamide](http://zinc12.docking.org/img/rings/539207.gif)