| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2005 | 24 | No |
Popular Name: 1-(4-METHOXYPHENYL)-3-(3,4,5-TRIMETHOXYPHENYL)PROP-2-EN-1-ONE 1-(4-METHOXYPHENYL)-3-(3,4,5-TRI…
Find On: PubMed — Wikipedia — Google
CAS Number: 105686-91-7
| 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) | 3.50 | 3.08 | -13.32 | 0 | 5 | 0 | 54 | 328.364 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80186-2-O | K562 (Erythroleukemia Cells) (cluster #2 Of 11), Other | Other | 4500 | 0.31 | Functional ≤ 10μM |
| Z80945-2-O | HEp-2 (Laryngeal Carcinoma Cells) (cluster #2 Of 4), Other | Other | 8620 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80945 | Z80945 | HEp-2 (Laryngeal Carcinoma Cells) | 8620 | 0.30 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 4500 | 0.31 | Functional ≤ 10μM |
