| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 24 | Yes |
Popular Name: 4-[(4-fluorophenyl)amino]-6,7-dimethoxy-quinoline-3-carbonitrile 4-[(4-fluorophenyl)amino]-6,7-di…
| 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) | 3.69 | 7.24 | -9.12 | 1 | 5 | 0 | 67 | 323.327 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80475-3-O | SK-BR-3 (Breast Adenocarcinoma) (cluster #3 Of 3), Other | Other | 740 | 0.36 | Functional ≤ 10μM |
| Z80852-3-O | A-431 (Epidermoid Carcinoma Cells) (cluster #3 Of 3), Other | Other | 1430 | 0.34 | Functional ≤ 10μM |
| Z81331-1-O | SW-620 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other | Other | 2870 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80852 | Z80852 | A-431 (Epidermoid Carcinoma Cells) | 1430 | 0.34 | Functional ≤ 10μM |
| Z80475 | Z80475 | SK-BR-3 (Breast Adenocarcinoma) | 740 | 0.36 | Functional ≤ 10μM |
| Z81331 | Z81331 | SW-620 (Colon Adenocarcinoma Cells) | 2870 | 0.32 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.