General
Preferred name
ALD-52 (solution)
Synonyms
P&D ID
PD071218
CAS
3270-02-8
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
1
Cayman Chemical Bioactives
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
9
Properties
(calculated by RDKit )
Molecular Weight
365.21
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
2
cLogP
3.04
TPSA
45.55
Fraction CSP3
0.45
Chiral centers
2.0
Largest ring
6.0
QED
0.84
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
