| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 22 | Yes |
Popular Name: 4-butyl-7-hydroxy-8-methyl-6-(1H-pyrazol-3-yl)chromen-2-one 4-butyl-7-hydroxy-8-methyl-6-(1H…
| 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) | 3.92 | 7.05 | -13.82 | 2 | 5 | 0 | 79 | 298.342 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.92 | 7.64 | -39.07 | 1 | 5 | -1 | 82 | 297.334 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.92 | 7.83 | -41.64 | 1 | 5 | -1 | 82 | 297.334 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
