| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2008 | 22 | Yes |
Popular Name: 5-Hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl acetate 5-Hydroxy-4-oxo-2-phenyl-4H-chro…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 6674-40-4 , [6674-40-4]
| 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) | 2.97 | 8.03 | -13.78 | 1 | 5 | 0 | 77 | 296.278 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80166-1-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other | Other | 3800 | 0.34 | Functional ≤ 10μM |
| Z80470-1-O | SGC-7901 (Gastric Carcinoma Cells) (cluster #1 Of 2), Other | Other | 3600 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 3800 | 0.34 | Functional ≤ 10μM |
| Z80470 | Z80470 | SGC-7901 (Gastric Carcinoma Cells) | 3600 | 0.35 | Functional ≤ 10μM |
