MCULE-4639188164
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price  Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences. | Guaranteed purity (%) | Delivery time  Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified. | |
|---|---|---|---|---|
| 1 mg | 19 USD | 92 | 18 working days | Get Quote | 
| 5 mg | 29 USD | 92 | 18 working days | Get Quote | 
| 10 mg | 36 USD | 92 | 18 working days | Get Quote | 
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
- 
                    1- MCULE-9500640156
- Component type: Main
 
- 
                    1- MCULE-7245694496
- Component type: Counter Ion
 
| Name | File | 
|---|---|
| SDF | MCULE-4639188164.sdf | 
| SMILES | MCULE-4639188164.smiles | 
| Standard InChI | MCULE-4639188164.inchi | 
| InChIKey | MCULE-4639188164.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-854093996 | 95 | As is | 92 mg | 
| P-13284669 | 92 | As is | 92 mg | 
| Property | Value | 
|---|---|
| Components | 2 | 
| Mass | 281.336 | 
| logP | -0.3674 | 
| H-bond acceptors | 9 | 
| H-bond donors | 0 | 
| Rotatable bonds | 4 | 
| PSA | 118.41 | 
| RO5 violations | 0 | 
| RO3 violations | 3 | 
| Refractivity | 62.3378 | 
| Atoms | 37 | 
| Rings | 1 | 
| Heavy atoms | 18 | 
| Hydrogen atoms | 19 | 
| Heteroatoms | 10 | 
| N/O atoms | 9 | 
| Inorganic atoms | 0 | 
| Halogen atoms | 0 | 
| Chiral centers | 0 | 
| R/S chiral centers | 0 | 
| Unknown chiral centers | 0 | 
| Undefined chiral centers | 0 | 
| Stereo double bonds | 0 | 
| Cis/trans stereo double bonds | 0 | 
| Unknown stereo double bonds | 0 | 
| Undefined stereo double bonds | 0 | 

