| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 30th, 2008 | 21 | No |
Popular Name: (2S,3S,4R,5S)-2,4-diacetyl-5-hydroxy-5-methyl-3-phenyl-cyclohexan-1-one (2S,3S,4R,5S)-2,4-diacetyl-5-hyd…
| 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) | 1.90 | 4.79 | -58.59 | 1 | 4 | -1 | 77 | 287.335 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.90 | 5.37 | -10.8 | 2 | 4 | 0 | 75 | 288.343 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.32 | 5.27 | -7.47 | 1 | 4 | 0 | 71 | 288.343 | 3 | ↓ |
