| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 15 | Yes |
Popular Name: 8-acetyl-7-hydroxy-2H-chromen-2-one 8-acetyl-7-hydroxy-2H-chromen-2-one
Find On: PubMed — Wikipedia — Google
CAS Numbers: 6748-68-1 , [6748-68-1]
| 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) | 1.81 | 4.86 | -23.52 | 1 | 4 | 0 | 68 | 204.181 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 167-171? | Alfa-Aesar |
| Melting_Point | 167-171° | Alfa-Aesar |
| M.P | 168-170 C | Indofine |
| MP | 168-170o C | Indofine |
| APPEARANCE | Bright yellow powder | Indofine |
| SOLUBILITY | Soluble in ; Toluene, Ethyl Formiate, Formic acid | Indofine |
| SOLUBILITY | Soluble in Chloroform | Indofine |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH9-11-E | Carbonic Anhydrase IX (cluster #11 Of 11), Eukaryotic | Eukaryotes | 73 | 0.67 | Binding ≤ 10μM |
| Q43570-1-E | Zn Finger Protein (cluster #1 Of 1), Eukaryotic | Eukaryotes | 62 | 0.67 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH9_HUMAN | Q16790 | Carbonic Anhydrase IX, Human | 73 | 0.67 | Binding ≤ 1μM |
| Q43570_TOBAC | Q43570 | Zn Finger Protein, Tobac | 61.9 | 0.67 | Binding ≤ 1μM |
| CAH9_HUMAN | Q16790 | Carbonic Anhydrase IX, Human | 73 | 0.67 | Binding ≤ 10μM |
| Q43570_TOBAC | Q43570 | Zn Finger Protein, Tobac | 61.9 | 0.67 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Regulation of gene expression by Hypoxia-inducible Factor | |
| Reversible hydration of carbon dioxide |
