| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 9th, 2011 | 26 | 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) | 1.22 | 9.19 | -87.94 | 2 | 8 | 0 | 105 | 358.446 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.22 | 8.02 | -71.72 | 1 | 8 | -1 | 101 | 357.438 | 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)
![4,5,6,7-tetrahydro-1H-indazol-5-yl(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)amine](http://zinc12.docking.org/img/rings/520781.gif)