General
Preferred name
RAUBASIN
Synonyms
AKUAMMIGINE ()
RAUBASINE ()
Tetrahydroalstonine ()
ajmalicine ()
P&D ID
PD094236
CAS
6474-90-4
483-04-5
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 ]]
Compound Sets
4
CZ-OPENSCREEN Bioactive Library
EU-OPENSCREEN Bioactive Compound Library
Ki Database
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
352.18
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
5
Aromatic Ring Count
2
cLogP
3.18
TPSA
54.56
Fraction CSP3
0.48
Chiral centers
4.0
Largest ring
6.0
QED
0.8
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
