| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2011 | 28 | 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) | 1.74 | 8.28 | -97.58 | 4 | 7 | 2 | 81 | 390.576 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 6.04 | -55.78 | 3 | 7 | 1 | 80 | 389.568 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 5.33 | -7.64 | 2 | 7 | 0 | 75 | 388.56 | 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)
![1-pyrrolidino-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[3,4-g][1,4]diazepin-3-ylmethyl)cyclohexanecarboxamide](http://zinc12.docking.org/img/rings/564534.gif)