| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 15 | Yes |
Popular Name: 3-acetyl-7-hydroxy-2H-chromen-2-one 3-acetyl-7-hydroxy-2H-chromen-2-one
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10441-27-7 , [10441-27-7]
| 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) | 1.34 | 3.46 | -10.14 | 1 | 4 | 0 | 68 | 204.181 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.34 | 4.2 | -36.62 | 0 | 4 | -1 | 70 | 203.173 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MIF-1-E | Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4300 | 0.50 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MIF_HUMAN | P14174 | Macrophage Migration Inhibitory Factor, Human | 4300 | 0.50 | Binding ≤ 10μM |
