General
Preferred name
ABRINE (L)
Synonyms
P&D ID
PD001345
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
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
218.11
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
3
Rotatable Bonds
4
Ring Count
2
Aromatic Ring Count
2
cLogP
1.38
TPSA
65.12
Fraction CSP3
0.25
Chiral centers
1.0
Largest ring
6.0
QED
0.73
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
