General
Preferred name
ADB-BUTINACA
Synonyms
ADB-BUTINACA-d9 ()
ADB-BUTINACA (CRM) ()
ADB-BUTINACA-d9 (CRM) ()
P&D ID
PD126388
CAS
2682867-55-4
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 ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
4
Properties
(calculated by RDKit )
Molecular Weight
330.21
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
2
Aromatic Ring Count
2
cLogP
2.47
TPSA
90.01
Fraction CSP3
0.5
Chiral centers
1.0
Largest ring
6.0
QED
0.85
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
