| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2011 | 22 | No |
Popular Name: (5S)-N-(5-isopropyl-4H-1,2,4-triazol-3-yl)-5-phenyl-4,5-dihydroisoxazole-3-carboxamide (5S)-N-(5-isopropyl-4H-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) | 1.83 | 5.76 | -45.82 | 1 | 7 | -1 | 99 | 298.326 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.83 | 5.39 | -129.29 | 0 | 7 | -2 | 97 | 297.318 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.82 | 6.96 | -11.1 | 2 | 7 | 0 | 96 | 299.334 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
