| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 26th, 2011 | 17 | Yes |
Popular Name: 5-isopropyl-3-methyl-N-(4H-1,2,4-triazol-3-yl)isoxazole-4-carboxamide 5-isopropyl-3-methyl-N-(4H-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) | 0.52 | 5.97 | -14.25 | 2 | 7 | 0 | 97 | 235.247 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.58 | 4.29 | -41.3 | 1 | 7 | -1 | 103 | 234.239 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.52 | 5.8 | -42.56 | 1 | 7 | -1 | 95 | 234.239 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
