General
Preferred name
PD086138
Synonyms
P&D ID
PD086138
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
1
LSP-MoA library (Laboratory of Systems Pharmacology)
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
3
Properties
(calculated by RDKit )
Molecular Weight
1560.55
Hydrogen Bond Acceptors
25
Hydrogen Bond Donors
22
Rotatable Bonds
40
Ring Count
5
Aromatic Ring Count
2
cLogP
2.4
TPSA
604.58
Fraction CSP3
0.55
Chiral centers
15.0
Largest ring
6.0
QED
0.02
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
