P-889939692
- 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 | 665 USD | N/A | 35 working days | Get Quote |
5 mg | 665 USD | N/A | 35 working days | Get Quote |
10 mg | 665 USD | N/A | 35 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-889939692.sdf |
SMILES | P-889939692.smiles |
Standard InChI | P-889939692.inchi |
InChIKey | P-889939692.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-889939692 | AA Blocks | AA Blocks - synthesis | N/A | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 311.760 |
logP | 4.5978 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 39.19 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 88.8205 |
Atoms | 36 |
Rings | 3 |
Heavy atoms | 22 |
Hydrogen atoms | 14 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |