General
Preferred name
PD051142
Synonyms
compound 4 [Balasubramanian et al., 1992] ()
P&D ID
PD051142
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
Guide to Pharmacology
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
5
Properties
(calculated by RDKit )
Molecular Weight
453.14
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
2
Rotatable Bonds
7
Ring Count
4
Aromatic Ring Count
3
cLogP
1.24
TPSA
124.19
Fraction CSP3
0.22
Chiral centers
2.0
Largest ring
6.0
QED
0.43
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
