General
Preferred name
PD133927
Synonyms
2-Cl-ADP(α-BH3) ()
P&D ID
PD133927
Tags
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
5
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
2
Properties
(calculated by RDKit )
Molecular Weight
455.0
Hydrogen Bond Acceptors
12
Hydrogen Bond Donors
5
Rotatable Bonds
6
Ring Count
3
Aromatic Ring Count
2
cLogP
-0.92
TPSA
212.37
Fraction CSP3
0.5
Chiral centers
5.0
Largest ring
6.0
QED
0.2
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
