| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2008 | 20 | Yes |
Popular Name: 3-amino-6-(2-fluorophenyl)thieno[5,4-b]pyridine-2-carboxamide 3-amino-6-(2-fluorophenyl)thieno…
| 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) | 2.48 | -3.9 | -14.3 | 4 | 4 | 0 | 82 | 287.319 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.48 | -3.91 | -31.9 | 5 | 4 | 1 | 83 | 288.327 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81020-7-O | HepG2 (Hepatoblastoma Cells) (cluster #7 Of 8), Other | Other | 700 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 700 | 0.43 | Functional ≤ 10μM |
