| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 11th, 2010 | 26 | No |
Popular Name: 2,5-bis(4-hydroxy-3-methoxybenzylidene)cyclopentanone 2,5-bis(4-hydroxy-3-methoxybenzy…
Find On: PubMed — Wikipedia — Google
CAS Number: 7249-34-5
| 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) | 3.14 | 5.56 | -15.55 | 2 | 5 | 0 | 76 | 352.386 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP2C9-2-E | Cytochrome P450 2C9 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 2800 | 0.30 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP2C9_HUMAN | P11712 | Cytochrome P450 2C9, Human | 2800 | 0.30 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| CYP2E1 reactions | |
| Synthesis of (16-20)-hydroxyeicosatetraenoic acids (HETE) | |
| Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) | |
| Xenobiotics |
