| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 29th, 2008 | 25 | No |
Popular Name: (2S,3R,4R,5S)-2,4-diacetyl-3-(4-tert-butylphenyl)-5-hydroxy-5-methyl-cyclohexan-1-one (2S,3R,4R,5S)-2,4-diacetyl-3-(4-…
| 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) | 3.60 | 6.91 | -49.77 | 1 | 4 | -1 | 77 | 343.443 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.61 | 6.81 | -36.93 | 2 | 4 | 0 | 75 | 344.451 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 7.81 | -12.51 | 1 | 4 | 0 | 71 | 344.451 | 4 | ↓ |
