| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 21 | No |
Popular Name: 6-chloro-N-(4-methoxy-2-nitro-phenyl)pyridine-3-carboxamide 6-chloro-N-(4-methoxy-2-nitro-ph…
| 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) | 2.56 | 5.45 | -8.66 | 1 | 7 | 0 | 97 | 307.693 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80120-1-O | DLD-1 (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other | Other | 690 | 0.41 | Functional ≤ 10μM |
| Z80608-1-O | ZR-75-1 (Breast Carcinoma Cells) (cluster #1 Of 4), Other | Other | 300 | 0.43 | Functional ≤ 10μM |
| Z80712-2-O | T47D (Breast Carcinoma Cells) (cluster #2 Of 7), Other | Other | 690 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80120 | Z80120 | DLD-1 (Colon Adenocarcinoma Cells) | 690 | 0.41 | Functional ≤ 10μM |
| Z80712 | Z80712 | T47D (Breast Carcinoma Cells) | 690 | 0.41 | Functional ≤ 10μM |
| Z80608 | Z80608 | ZR-75-1 (Breast Carcinoma Cells) | 300 | 0.43 | Functional ≤ 10μM |
