| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 21st, 2006 | 23 | No |
Popular Name: 4-[3-(2,5-dimethoxyphenyl)-3-oxo-prop-1-enyl]benzoic 4-[3-(2,5-dimethoxyphenyl)-3-oxo…
| 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) | 3.76 | 2.58 | -55.76 | 0 | 5 | -1 | 75 | 311.313 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80390-1-O | PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other | Other | 7240 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 7240 | 0.31 | Functional ≤ 10μM |
