| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 22nd, 2009 | 16 | No |
Popular Name: (4E)-4-(anilinomethylene)-2-hydroxy-cyclohexa-2,5-dien-1-one (4E)-4-(anilinomethylene)-2-hydr…
| 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) | 2.50 | 2.89 | -8.23 | 2 | 3 | 0 | 53 | 213.236 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.50 | 3.25 | -36.07 | 3 | 3 | 1 | 54 | 214.244 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81020-3-O | HepG2 (Hepatoblastoma Cells) (cluster #3 Of 8), Other | Other | 6800 | 0.45 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 6800 | 0.45 | Functional ≤ 10μM |
