| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 19 | No |
Popular Name: 5-[methyl-[2-(2-pyridyl)ethyl]amino]-4-propyl-1,2,4-triazole-3-thiol 5-[methyl-[2-(2-pyridyl)ethyl]am…
None
| 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) | 1.38 | 10.29 | -52.87 | 2 | 5 | 1 | 51 | 278.405 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.11 | 10.24 | -50.18 | 1 | 5 | 0 | 48 | 277.397 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.11 | 10.33 | -46.13 | 0 | 5 | -1 | 47 | 276.389 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![3-[2-(2-pyridyl)ethylamino]-1,4-dihydro-1,2,4-triazole-5-thione](http://zinc12.docking.org/img/rings/114677.gif)