| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2009 | 17 | No |
Popular Name: 5-isopropyl-4-[2-(3-pyridyl)ethyl]-1,2,4-triazole-3-thiol 5-isopropyl-4-[2-(3-pyridyl)ethy…
| 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) | 1.16 | 7.87 | -12.26 | 1 | 4 | 0 | 47 | 248.355 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.89 | 7.98 | -46.36 | 0 | 4 | -1 | 44 | 247.347 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.16 | 8.33 | -48.17 | 2 | 4 | 1 | 48 | 249.363 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4-[2-(3-pyridyl)ethyl]-1H-1,2,4-triazole-5-thione](http://zinc12.docking.org/img/rings/573421.gif)