General
Preferred name
PD007361
Synonyms
Diamino-N-[3-(1,3,2-dioxaborolan-2-yloxy)propyl]methaniminium ()
P&D ID
PD007361
Tags
covalent binder
drug candidate
natural product
Drug Status
experimental
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
5
Properties
(calculated by RDKit )
Molecular Weight
188.12
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
5
Ring Count
1
Aromatic Ring Count
0
cLogP
-2.91
TPSA
91.33
Fraction CSP3
0.83
Chiral centers
0.0
Largest ring
5.0
QED
0.19
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
