| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2011 | 29 | 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) | 1.52 | 6.79 | -61.43 | 3 | 8 | 1 | 89 | 399.519 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.52 | 5.1 | -13.86 | 2 | 8 | 0 | 84 | 398.511 | 5 | ↓ |
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)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide](http://zinc12.docking.org/img/rings/607016.gif)