| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2010 | 19 | 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) | 1.67 | 6.68 | -43.09 | 2 | 5 | 1 | 57 | 285.437 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.67 | 5.46 | -10.24 | 1 | 5 | 0 | 52 | 284.429 | 7 | ↓ |
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)