P-23050053
- 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 | 340 USD | 94 | 23 working days | Get Quote |
5 mg | 340 USD | 94 | 23 working days | Get Quote |
10 mg | 457 USD | 94 | 23 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-23050053.sdf |
SMILES | P-23050053.smiles |
Standard InChI | P-23050053.inchi |
InChIKey | P-23050053.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-23050053 | TimTec | ActiMol 4 Week - On demand | 94 | by resynthesis (? - ? days) |
Property | Value |
---|---|
Components | 1 |
Mass | 520.536 |
logP | 2.0599 |
H-bond acceptors | 12 |
H-bond donors | 1 |
Rotatable bonds | 11 |
PSA | 133.69 |
RO5 violations | 2 |
RO3 violations | 4 |
Refractivity | 136.7237 |
Atoms | 66 |
Rings | 5 |
Heavy atoms | 38 |
Hydrogen atoms | 28 |
Heteroatoms | 12 |
N/O atoms | 12 |
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 |