| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 20 | Yes |
Popular Name: (1S,2S)-1-(4-pyridyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine (1S,2S)-1-(4-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) | 1.18 | 6.46 | -45.72 | 3 | 5 | 1 | 71 | 286.384 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.18 | 6.21 | -12.91 | 2 | 5 | 0 | 69 | 285.376 | 4 | ↓ |
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-(4-pyridylmethylthio)-[1,2,4]triazolo[4,3-a]pyridine](http://zinc12.docking.org/img/rings/214150.gif)