| Synonyms | |
| Molecule Category | Free-form |
| UNII | TA269SD04T |
| Source | Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ... |
Structure
| InChI Key | HUMNYLRZRPPJDN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6O |
| Molecular Weight | 106.12 |
| AlogP | 1.59 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 8.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 660000 | - | - | - |
Agaricus bisporus
Oryctolagus cuniculus
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL15972 |
| FDA SRS | TA269SD04T |
| PDB | HBX |
| PubChem | 240 |
| SureChEMBL | SCHEMBL573 |
| ZINC | ZINC00895145 |
CONTENTS
