| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2011 | 22 | No |
Popular Name: N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-4-oxo-4-(2-thienyl)butanamide N-[(4-isopropyl-5-sulfanyl-1,2,4…
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) | 0.76 | 7.11 | -14.61 | 2 | 6 | 0 | 80 | 338.458 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.49 | 6.92 | -44.95 | 1 | 6 | -1 | 77 | 337.45 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4-keto-4-(2-thienyl)-N-[(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]butyramide](http://zinc12.docking.org/img/rings/305563.gif)