| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 28th, 2005 | 18 | No |
Popular Name: 3-(2-chlorophenyl)-1-(4-hydroxyphenyl)-2-propen-1-one 3-(2-chlorophenyl)-1-(4-hydroxyp…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 02/02/24 , 5424-02-2 , [5424-02-2]
| 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) | 3.78 | 6.83 | -10.77 | 1 | 2 | 0 | 37 | 258.704 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.78 | 7.6 | -45.24 | 0 | 2 | -1 | 40 | 257.696 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 170° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 6850 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 6850 | 0.40 | Functional ≤ 10μM |
