General
Preferred name
DEVAPAMIL
Synonyms
D888,(-) ()
D888,(+) ()
Desmethoxyverapamil ()
D 888 ()
P&D ID
PD067870
CAS
92302-55-1
Tags
drug candidate
natural product
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
4
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
424.27
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
0
Rotatable Bonds
12
Ring Count
2
Aromatic Ring Count
2
cLogP
5.08
TPSA
54.72
Fraction CSP3
0.5
Chiral centers
1.0
Largest ring
6.0
QED
0.48
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
