| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2011 | 21 | No |
Popular Name: 2-(3,5-dimethylisoxazol-4-yl)-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]acetamide 2-(3,5-dimethylisoxazol-4-yl)-N-…
| 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) | -0.17 | 5.66 | -20 | 2 | 7 | 0 | 89 | 309.395 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.56 | 5.46 | -47.36 | 1 | 7 | -1 | 86 | 308.387 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-isoxazol-4-yl-N-[(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide](http://zinc12.docking.org/img/rings/310676.gif)