| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2011 | 22 | 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) | 1.97 | 7.48 | -55.12 | 3 | 6 | 1 | 76 | 303.434 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.97 | 6.1 | -11.45 | 2 | 6 | 0 | 71 | 302.426 | 5 | ↓ |
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)
![1H-pyrazol-4-ylmethyl(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)amine](http://zinc12.docking.org/img/rings/387612.gif)