General
Preferred name
PD062904
Synonyms
P&D ID
PD062904
CAS
61827-49-4
103333-76-2
1429-50-1
22036-77-7
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
Drug Repurposing Hub
Other bioactive compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
436.0
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
8
Rotatable Bonds
11
Ring Count
0
Aromatic Ring Count
0
cLogP
-1.87
TPSA
236.6
Fraction CSP3
1.0
Chiral centers
0.0
Largest ring
0.0
QED
0.17
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
chelating agent
Source data
