| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 12th, 2004 | 13 | No |
Popular Name: 4-(2,4-Dichlorophenyl)-3-buten-2-one 4-(2,4-Dichlorophenyl)-3-buten-2…
Find On: PubMed — Wikipedia — Google
CAS Number: 61888-78-6
(E)-4-(2,4-Dichloro-phenyl)-but-3-en-2-one
(E)-4-(2,4-Dichlorophenyl)-but-3-en-2-one
2,4-Dichlorobenzylideneacetone
2,4-Dichlorobenzylideneacetone, 97%
| 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) | 3.31 | 1.75 | -7.81 | 0 | 1 | 0 | 17 | 215.079 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 83-85? | Alfa-Aesar |
| Melting_Point | 83-85° | Alfa-Aesar |
| Purity | 95% | Fluorochem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80186-2-O | K562 (Erythroleukemia Cells) (cluster #2 Of 11), Other | Other | 7900 | 0.55 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 7900 | 0.55 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.