General
Preferred name
PD051721
Synonyms
P&D ID
PD051721
CAS
4398-79-2
Tags
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
2
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
203.12
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
5
Ring Count
0
Aromatic Ring Count
0
cLogP
-1.24
TPSA
66.43
Fraction CSP3
0.78
Chiral centers
1.0
Largest ring
0.0
QED
0.41
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
