| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 20th, 2008 | 22 | No |
Popular Name: 4-nitro-2-[(E)-[1,2,4]triazolo[4,5-a]pyridin-3-ylmethyliminomethyl]phenol 4-nitro-2-[(E)-[1,2,4]triazolo[4…
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| 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) | 1.98 | 6.39 | -16.84 | 1 | 8 | 0 | 109 | 297.274 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.98 | 8.76 | -25.98 | 1 | 8 | 0 | 113 | 297.274 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.98 | 7.27 | -54.44 | 2 | 8 | 1 | 110 | 298.282 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.25 | 7.71 | -65.9 | 2 | 8 | 1 | 108 | 298.282 | 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)
![Benzal([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amine](http://zinc12.docking.org/img/rings/126068.gif)