| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2010 | 18 | No |
Popular Name: (3Z,5E)-6-(3,4-dimethoxyphenyl)-4-hydroxy-hexa-3,5-dien-2-one (3Z,5E)-6-(3,4-dimethoxyphenyl)-…
| 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) | 1.30 | 7.78 | -18.79 | 0 | 4 | 0 | 53 | 248.278 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 6.7 | -52.18 | 0 | 4 | -1 | 59 | 247.27 | 5 | ↓ |
| 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 | 7000 | 0.40 | Functional ≤ 10μM |
| Z81170-1-O | LNCaP (Prostate Carcinoma) (cluster #1 Of 5), Other | Other | 6600 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81170 | Z81170 | LNCaP (Prostate Carcinoma) | 6600 | 0.40 | Functional ≤ 10μM |
| Z80390 | Z80390 | PC-3 (Prostate Carcinoma Cells) | 7000 | 0.40 | Functional ≤ 10μM |
