MCULE-6556342774-4
- 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 | 10 USD | N/A | 9 working days | Get Quote |
5 mg | 10 USD | N/A | 9 working days | Get Quote |
10 mg | 10 USD | N/A | 9 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.
-
MCULE-4880785240-2
- Component type: Main
-
MCULE-7756870490-2
- Component type: Main
Name | File |
---|---|
SDF | MCULE-6556342774-4.sdf |
SMILES | MCULE-6556342774-4.smiles |
Standard InChI | MCULE-6556342774-4.inchi |
InChIKey | MCULE-6556342774-4.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-606909983 | AmBeed | In stock | N/A | As is | in stock |
P-584614263 | MedKoo | In stock compounds | 95 | As is | in stock |
P-608276827 | Molnova | Stock | 98 | As is | in stock |
P-505347971 | AK Scientific | Building Blocks | 99 | As a main component | in stock |
P-524161922 | Key Organics | Building Blocks | 98 | As a main component | 25 g |
P-584614264 | MedKoo | In stock compounds | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 135.127 |
logP | 0.5163 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 0 |
PSA | 80.48 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 36.0881 |
Atoms | 15 |
Rings | 2 |
Heavy atoms | 10 |
Hydrogen atoms | 5 |
Heteroatoms | 5 |
N/O atoms | 5 |
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 |