| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 21 | Yes |
Popular Name: (1S,2R)-1-(2-pyridyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine (1S,2R)-1-(2-pyridyl)-1-([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) | 1.84 | 6.97 | -46.42 | 3 | 5 | 1 | 71 | 300.411 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | 7.4 | -13.91 | 2 | 5 | 0 | 69 | 299.403 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![[1,2,4]triazolo[4,3-a]pyridine](http://zinc12.docking.org/img/rings/2142.gif)
![3-(2-pyridylmethylthio)-[1,2,4]triazolo[4,3-a]pyridine](http://zinc12.docking.org/img/rings/214158.gif)