| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 23 | No |
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) | -1.22 | 0.81 | -21.23 | 3 | 9 | 0 | 118 | 320.353 | 5 | ↓ |
| Hi High (pH 8-9.5) | -1.03 | -1.84 | -52.97 | 2 | 9 | -1 | 124 | 319.345 | 5 | ↓ |
![6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine](http://zinc12.docking.org/img/rings/3619.gif)
![3-(2,5-diketoimidazolidin-4-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)propionamide](http://zinc12.docking.org/img/rings/609716.gif)
