| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 10th, 2009 | 13 | No |
Popular Name: (3E)-4-(5-Bromo-2-fluorophenyl)but-3-en-2-one (3E)-4-(5-Bromo-2-fluorophenyl)b…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 203194-33-6 , [203194-33-6]
| 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) | 2.93 | 6.98 | -6.86 | 0 | 1 | 0 | 17 | 243.075 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80186-2-O | K562 (Erythroleukemia Cells) (cluster #2 Of 11), Other | Other | 5300 | 0.57 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 5300 | 0.57 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.