| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2005 | 11 | No |
Popular Name: 3-ACETOXY-2-CYCLOHEXEN-1-ONE 3-ACETOXY-2-CYCLOHEXEN-1-ONE
Find On: PubMed — Wikipedia — Google
CAS Number: 57918-73-7
| 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) | 1.28 | 5.06 | -9.49 | 0 | 3 | 0 | 43 | 154.165 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HPPD-1-E | 4-hydroxyphenylpyruvate Dioxygenase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3620 | 0.69 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HPPD_PIG | Q02110 | 4-hydroxyphenylpyruvate Dioxygenase, Pig | 3620 | 0.69 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.