| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2005 | 19 | No |
Popular Name: 2-Nitrochalcone 2-Nitrochalcone
Find On: PubMed — Wikipedia — Google
CAS Number: 7473-93-0
(2E)-3-(2-nitrophenyl)-1-phenylprop-2-en-1-one
(E)-3-(2-nitrophenyl)-1-phenyl-2-propen-1-one
2-(2-Nitrobenzylidene)acetophenone
2-propen-1-one, 3-(2-nitrophenyl)-1-phenyl-
| 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) | 3.54 | 2.69 | -17.13 | 0 | 4 | 0 | 62 | 253.257 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 124-128? | Alfa-Aesar |
| Melting_Point | 124-128° | Alfa-Aesar |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80362-1-O | P388 (Lymphoma Cells) (cluster #1 Of 8), Other | Other | 3740 | 0.40 | Functional ≤ 10μM |
| Z80874-3-O | CEM (T-cell Leukemia) (cluster #3 Of 7), Other | Other | 8600 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 8600 | 0.37 | Functional ≤ 10μM |
| Z80362 | Z80362 | P388 (Lymphoma Cells) | 3740 | 0.40 | Functional ≤ 10μM |
