| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 19 | No |
Popular Name: 2-[(2,6-diketocyclohexyl)methyl]-3-keto-5,5-dimethyl-cyclohexen-1-olate 2-[(2,6-diketocyclohexyl)methyl]…
| 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) | 1.05 | 6.79 | -46.78 | 0 | 4 | -1 | 74 | 263.313 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.64 | 3.82 | -25.22 | 2 | 4 | 0 | 74 | 264.321 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.64 | 6.86 | -115.45 | 0 | 4 | -2 | 80 | 262.305 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.05 | 6.79 | -45.64 | 0 | 4 | -1 | 74 | 263.313 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.64 | 7.61 | -55.37 | 1 | 4 | -1 | 77 | 263.313 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.64 | 8.12 | -44.76 | 1 | 4 | -1 | 77 | 263.313 | 2 | ↓ |
