| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 4th, 2011 | 25 | No |
Popular Name: N-[(4-ethyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-4-oxo-4-(4-propylphenyl)butanamide N-[(4-ethyl-5-sulfanyl-1,2,4-tri…
| 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) | 1.80 | 10.01 | -15.51 | 2 | 6 | 0 | 80 | 360.483 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.53 | 9.8 | -45.83 | 1 | 6 | -1 | 77 | 359.475 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4-keto-4-phenyl-N-[(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]butyramide](http://zinc12.docking.org/img/rings/305506.gif)