P-535626819
- 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 | 16 USD | 95 | 18 working days | Get Quote |
5 mg | 16 USD | 95 | 18 working days | Get Quote |
10 mg | 16 USD | 95 | 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.
Name | File |
---|---|
SDF | P-535626819.sdf |
SMILES | P-535626819.smiles |
Standard InChI | P-535626819.inchi |
InChIKey | P-535626819.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-535626819 | AK Scientific | Building Blocks | 95 | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 181.188 |
logP | 1.0469 |
H-bond acceptors | 4 |
H-bond donors | 3 |
Rotatable bonds | 3 |
PSA | 83.55 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 47.5242 |
Atoms | 24 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 11 |
Heteroatoms | 4 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |