| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 13th, 2010 | 9 | Yes |
Popular Name: 2-Cyclohexen-1-one, 3-hydroxy-6-methyl- (9CI) 2-Cyclohexen-1-one, 3-hydroxy-6-…
Find On: PubMed — Wikipedia — Google
CAS Number: 136113-96-7
| 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) | 0.82 | 2.57 | -44.25 | 0 | 2 | -1 | 40 | 125.147 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.82 | 2.53 | -44.44 | 0 | 2 | -1 | 40 | 125.147 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.82 | 1.81 | -8.78 | 1 | 2 | 0 | 37 | 126.155 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.82 | 1.77 | -9.17 | 1 | 2 | 0 | 37 | 126.155 | 0 | ↓ |
| Mid Mid (pH 6-8) | 0.07 | 3.71 | -9.57 | 0 | 2 | 0 | 34 | 126.155 | 0 | ↓ |
