| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 32 | No |
Popular Name: Cinobufagin Cinobufagin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 470-37-1 , [470-37-1]
| 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) | 3.59 | 9.33 | -14.3 | 1 | 6 | 0 | 89 | 442.552 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81020-1-O | HepG2 (Hepatoblastoma Cells) (cluster #1 Of 1), Other | Other | 5200 | 0.23 | Binding ≤ 10μM |
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 1), Other | Other | 760 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 760 | 0.27 | Binding ≤ 1μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 760 | 0.27 | Binding ≤ 10μM |
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 5200 | 0.23 | Binding ≤ 10μM |
