| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2008 | 26 | No |
Popular Name: azepan-1-yl-[1-[(3-thioxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]-4-piperidyl]methanone azepan-1-yl-[1-[(3-thioxo-[1,2,4…
| 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) | 2.37 | 13.98 | -46.97 | 1 | 6 | 1 | 47 | 374.534 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione](http://zinc12.docking.org/img/rings/123448.gif)
![Azepan-1-yl-[1-[(3-thioxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]-4-piperidyl]methanone](http://zinc12.docking.org/img/rings/259964.gif)