| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 9th, 2006 | 25 | No |
Popular Name: 1-(4-hydroxy-3-methoxy-phenyl)-3-(3,4,5-trimethoxyphenyl)-prop-2-en-1-one 1-(4-hydroxy-3-methoxy-phenyl)-3…
| 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) | 2.78 | 1.47 | -15.04 | 1 | 6 | 0 | 74 | 344.363 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80186-2-O | K562 (Erythroleukemia Cells) (cluster #2 Of 11), Other | Other | 3500 | 0.31 | Functional ≤ 10μM |
| Z80945-2-O | HEp-2 (Laryngeal Carcinoma Cells) (cluster #2 Of 4), Other | Other | 6010 | 0.29 | Functional ≤ 10μM |
| Z81335-2-O | HCT-15 (Colon Adenocarcinoma Cells) (cluster #2 Of 5), Other | Other | 7750 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81335 | Z81335 | HCT-15 (Colon Adenocarcinoma Cells) | 7750 | 0.29 | Functional ≤ 10μM |
| Z80945 | Z80945 | HEp-2 (Laryngeal Carcinoma Cells) | 6010 | 0.29 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 3500 | 0.31 | Functional ≤ 10μM |
