| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 23 | No |
Popular Name: 1-(3-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione 1-(3-hydroxyphenyl)-2-(3,4,5-tri…
| 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) | 1.74 | 4.06 | -11.92 | 1 | 6 | 0 | 82 | 316.309 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 4.85 | -44.87 | 0 | 6 | -1 | 85 | 315.301 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80928-6-O | HCT-116 (Colon Carcinoma Cells) (cluster #6 Of 9), Other | Other | 2000 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 2000 | 0.35 | Functional ≤ 10μM |
