General
Preferred name
PD087105
Synonyms
P&D ID
PD087105
Tags
contains metal
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
Other bioactive compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
13
Properties
(calculated by RDKit )
Molecular Weight
1354.57
Hydrogen Bond Acceptors
20
Hydrogen Bond Donors
9
Rotatable Bonds
26
Ring Count
8
Aromatic Ring Count
2
cLogP
3.41
TPSA
488.71
Fraction CSP3
0.62
Chiral centers
15.0
Largest ring
15.0
QED
0.05
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
