| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2011 | 24 | Yes |
None
| 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) | 0.02 | 5.23 | -62.4 | 4 | 8 | 1 | 105 | 332.432 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.02 | 3.47 | -15.12 | 3 | 8 | 0 | 101 | 331.424 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.02 | 5.32 | -101.8 | 5 | 8 | 2 | 106 | 333.44 | 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)-1H-imidazole-5-carboxamide](http://zinc12.docking.org/img/rings/565450.gif)