| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 14 | No |
Popular Name: 4-Phenyl-3-furoxancarbonitrile 4-Phenyl-3-furoxancarbonitrile
Find On: PubMed — Wikipedia — Google
CAS Number: 125520-62-9
| 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) | 2.02 | 5.6 | -8.3 | 0 | 5 | 0 | 75 | 187.158 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q962Y6-1-E | Thioredoxin Glutathione Reductase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6300 | 0.52 | Binding ≤ 10μM |
| Z50587-8-O | Homo Sapiens (cluster #8 Of 9), Other | Other | 4200 | 0.54 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 10 | 0.80 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q962Y6_SCHMA | Q962Y6 | Thioredoxin Glutathione Reductase, Schma | 6300 | 0.52 | Binding ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 199 | 0.67 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 2.3 | 0.86 | Functional ≤ 10μM |
