| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2008 | 21 | No |
Popular Name: (2S,3R,4R,5S)-2,4-diacetyl-5-hydroxy-5-methyl-3-(3-pyridyl)cyclohexan-1-one (2S,3R,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) | 0.19 | 3.23 | -21.55 | 2 | 5 | 0 | 87 | 289.331 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.39 | 3.56 | -12.91 | 1 | 5 | 0 | 84 | 289.331 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.19 | 2.86 | -76.79 | 3 | 5 | 1 | 89 | 290.339 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.39 | 3.86 | -48.65 | 2 | 5 | 1 | 86 | 290.339 | 3 | ↓ |
