| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2011 | 21 | 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) | -0.45 | 8.37 | -38.85 | 2 | 6 | 0 | 87 | 310.423 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.45 | 7.11 | -51.12 | 1 | 6 | -1 | 83 | 309.415 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine](http://zinc12.docking.org/img/rings/3619.gif)
![3-(2-cyclopropylethylthio)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine](http://zinc12.docking.org/img/rings/272396.gif)