| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 3rd, 2005 | 18 | No |
Popular Name: 2-Methoxychalcone 2-Methoxychalcone
Find On: PubMed — Wikipedia — Google
CAS Number: 5416-70-6
3-(2-methoxyphenyl)-1-phenyl-2-propen-1-one
| 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) | 3.64 | 8.6 | -10.64 | 0 | 2 | 0 | 26 | 238.286 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80874-2-O | CEM (T-cell Leukemia) (cluster #2 Of 7), Other | Other | 8560 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 8560 | 0.39 | Functional ≤ 10μM |
