| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2005 | 22 | No |
Popular Name: 2,4-diacetyl-3-(3-fluorophenyl)-5-hydroxy-5-methyl-cyclohexan-1-one 2,4-diacetyl-3-(3-fluorophenyl)-…
| 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) | 2.04 | 4.5 | -49.09 | 1 | 4 | -1 | 77 | 305.325 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.45 | 1.35 | -51.04 | 1 | 4 | 0 | 71 | 306.333 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.04 | 0.93 | -20.79 | 2 | 4 | 0 | 74 | 306.333 | 3 | ↓ |
