| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 18 | Yes |
Popular Name: 7-hydroxy-3-phenyl-2H-chromen-2-one 7-hydroxy-3-phenyl-2H-chromen-2-one
Find On: PubMed — Wikipedia — Google
CAS Number: 6468-96-8
| 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) | 3.23 | 6.68 | -12.44 | 1 | 3 | 0 | 50 | 238.242 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| M.P | 182-183C | Indofine |
| MP | 182-183o C | Indofine |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| SOLUBILITY | Freely soluble in DMF | Indofine |
| APPEARANCE | Off white crystalline powder | Indofine |
| SOLUBILITY | Soluble in DMF | Indofine |
| PUBCHEM_PATENT_ID | US5236917; US5371074; US5596012; US5650422; US5874432 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MIF-1-E | Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 470 | 0.49 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MIF_HUMAN | P14174 | Macrophage Migration Inhibitory Factor, Human | 470 | 0.49 | Binding ≤ 1μM |
| MIF_HUMAN | P14174 | Macrophage Migration Inhibitory Factor, Human | 470 | 0.49 | Binding ≤ 10μM |
