| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2010 | 20 | No |
Popular Name: 5-hydroxy-2-[[4-(2,2,2-trifluoroacetyl)triazol-1-yl]methyl]pyran-4-one 5-hydroxy-2-[[4-(2,2,2-trifluoro…
| 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) | -0.03 | 1.83 | -25.46 | 1 | 7 | 0 | 98 | 289.169 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.03 | 2.69 | -60.14 | 0 | 7 | -1 | 101 | 288.161 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
