General
Preferred name
MBDB (hydrochloride)
Synonyms
MBDB-d3 (hydrochloride) ()
P&D ID
PD045169
CAS
103818-46-8
128767-12-4
1794810-75-5
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
24
Properties
(calculated by RDKit )
Molecular Weight
207.13
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
2
Aromatic Ring Count
1
cLogP
1.96
TPSA
30.49
Fraction CSP3
0.5
Chiral centers
1.0
Largest ring
6.0
QED
0.82
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
