| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2008 | 43 | No |
Popular Name: TILIROSIDE TILIROSIDE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 20316-62-5 , [20316-62-5]
| 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) | 2.49 | -2.13 | -19.91 | 7 | 13 | 0 | 217 | 594.525 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP3A4-3-E | Cytochrome P450 3A4 (cluster #3 Of 4), Eukaryotic | Eukaryotes | 700 | 0.20 | ADME/T ≤ 10μM |
| Z81020-7-O | HepG2 (Hepatoblastoma Cells) (cluster #7 Of 8), Other | Other | 155 | 0.22 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 155 | 0.22 | Functional ≤ 10μM |
| CP3A4_HUMAN | P08684 | Cytochrome P450 3A4, Human | 700 | 0.20 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Aflatoxin activation and detoxification | |
| Xenobiotics |
No pre-computed analogs available. Try a structural similarity search.