| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 20th, 2011 | 20 | Yes |
Popular Name: (2S)-2-cyclopropyl-2-(methylamino)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic (2S)-2-cyclopropyl-2-(methylamin…
| 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) | -0.34 | 8.23 | -43.42 | 2 | 6 | 0 | 87 | 292.364 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.34 | 7.69 | -59.72 | 1 | 6 | -1 | 82 | 291.356 | 6 | ↓ |
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-cyclopropylethylthio)-[1,2,4]triazolo[4,3-a]pyridine](http://zinc12.docking.org/img/rings/272597.gif)