| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 29 | Yes |
Popular Name: Yatein Yatein
Find On: PubMed — Wikipedia — Google
CAS Numbers: 40456-50-6 , [40456-50-6]
| 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) | 2.76 | 2.48 | -21.4 | 0 | 7 | 0 | 72 | 400.427 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP3A4-3-E | Cytochrome P450 3A4 (cluster #3 Of 4), Eukaryotic | Eukaryotes | 177 | 0.33 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP3A4_HUMAN | P08684 | Cytochrome P450 3A4, Human | 1000 | 0.29 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Aflatoxin activation and detoxification | |
| Xenobiotics |
