| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 5th, 2011 | 19 | No |
Popular Name: N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-2-(2-thienyl)acetamide N-[(4-isopropyl-5-sulfanyl-1,2,4…
| 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) | 0.87 | 6.51 | -14.45 | 2 | 5 | 0 | 63 | 296.421 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 6.31 | -43.98 | 1 | 5 | -1 | 60 | 295.413 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-(2-thienyl)-N-[(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide](http://zinc12.docking.org/img/rings/305539.gif)