| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2006 | 28 | Yes |
Popular Name: DNC009502 DNC009502
| 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) | 1.93 | -0.35 | -20.59 | 2 | 7 | 0 | 94 | 388.416 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP3A4-3-E | Cytochrome P450 3A4 (cluster #3 Of 4), Eukaryotic | Eukaryotes | 1100 | 0.30 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP3A4_HUMAN | P08684 | Cytochrome P450 3A4, Human | 1100 | 0.30 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Aflatoxin activation and detoxification | |
| Xenobiotics |
