| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 21 | No |
Popular Name: 1-(4-nitro-1H-pyrrol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone 1-(4-nitro-1H-pyrrol-2-yl)-2-([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) | 1.87 | 7.86 | -38.64 | 0 | 8 | -1 | 107 | 302.295 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.87 | 8.32 | -20.48 | 1 | 8 | 0 | 109 | 303.303 | 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)
![1-(1H-pyrrol-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanone](http://zinc12.docking.org/img/rings/214217.gif)