| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 14 | No |
Popular Name: (5R,6S)-6-carbomethoxy-3-keto-2,5-dimethyl-cyclohexen-1-olate (5R,6S)-6-carbomethoxy-3-keto-2,…
| 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) | 1.33 | 4.57 | -38.84 | 0 | 4 | -1 | 66 | 197.21 | 2 | ↓ |
| Ref Reference (pH 7) | 1.33 | 3.61 | -39.68 | 0 | 4 | -1 | 66 | 197.21 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.51 | 1.22 | -11.76 | 0 | 4 | 0 | 60 | 198.218 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.33 | 3.84 | -10.81 | 1 | 4 | 0 | 64 | 198.218 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.33 | 3.83 | -9.52 | 1 | 4 | 0 | 64 | 198.218 | 2 | ↓ |
