| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2004 | 25 | No |
Popular Name: (E)-3-(3,4-dimethoxyphenyl)acrylic-acid-[2-(2-furfurylamino)-2-keto-ethyl]-ester (E)-3-(3,4-dimethoxyphenyl)acryl…
| 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) | 1.94 | 6.87 | -14.22 | 1 | 7 | 0 | 87 | 345.351 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80186-2-O | K562 (Erythroleukemia Cells) (cluster #2 Of 11), Other | Other | 800 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 800 | 0.34 | Functional ≤ 10μM |
