| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 15 | No |
Popular Name: 7-hydroxy-2-oxo-2H-chromene-3-carbothioamide 7-hydroxy-2-oxo-2H-chromene-3-ca…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 69015-66-3 , [69015-66-3]
| 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) | 1.24 | 2.36 | -12.13 | 3 | 4 | 0 | 76 | 221.237 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.24 | 3.13 | -35.66 | 2 | 4 | -1 | 79 | 220.229 | 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 | 550 | 0.58 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MIF_HUMAN | P14174 | Macrophage Migration Inhibitory Factor, Human | 550 | 0.58 | Binding ≤ 1μM |
| MIF_HUMAN | P14174 | Macrophage Migration Inhibitory Factor, Human | 550 | 0.58 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.