| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 23 | Yes |
Popular Name: (2-amino-3-methoxy-phenyl)-(3,4,5-trimethoxyphenyl)methanone (2-amino-3-methoxy-phenyl)-(3,4,…
| 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) | 2.47 | 4.44 | -9.35 | 2 | 6 | 0 | 80 | 317.341 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80099-3-O | COLO 205 (Colon Adenocarcinoma Cells) (cluster #3 Of 3), Other | Other | 3622 | 0.33 | Functional ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 7639 | 0.31 | Functional ≤ 10μM |
| Z80967-2-O | Hone-1 Cell Line (cluster #2 Of 2), Other | Other | 4121 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80099 | Z80099 | COLO 205 (Colon Adenocarcinoma Cells) | 3622 | 0.33 | Functional ≤ 10μM |
| Z80967 | Z80967 | Hone-1 Cell Line | 4121 | 0.33 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 7639 | 0.31 | Functional ≤ 10μM |
