| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 21 | Yes |
Popular Name: (1S,2S)-1-(5-bromo-2-thienyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine (1S,2S)-1-(5-bromo-2-thienyl)-1-…
| 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) | 3.84 | 9.15 | -49.22 | 3 | 4 | 1 | 58 | 384.348 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.84 | 8.83 | -11.25 | 2 | 4 | 0 | 56 | 383.34 | 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-thenylthio)-[1,2,4]triazolo[4,3-a]pyridine](http://zinc12.docking.org/img/rings/214151.gif)