| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 12 | No |
Popular Name: 2-Cyclohexen-1-one, 3-hydroxy-5-methyl-2-(1-methylethyl)- (9CI) 2-Cyclohexen-1-one, 3-hydroxy-5-…
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CAS Number: 412320-87-7
| 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) | 1.88 | 5.55 | -35.08 | 0 | 2 | -1 | 40 | 167.228 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.05 | 5.59 | -7.23 | 0 | 2 | 0 | 34 | 168.236 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.88 | 3.88 | -10.29 | 1 | 2 | 0 | 37 | 168.236 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.