General
Preferred name
KAVAIN
Synonyms
(+)-Kavain ()
(R)-KAWAIN ()
L-Kawain ()
KAWAIN ()
Kavain(R)-KAWAIN ()
Kawain ()
Kawaih ()
P&D ID
PD045756
CAS
500-64-1
Tags
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
230.09
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
1
cLogP
2.55
TPSA
35.53
Fraction CSP3
0.21
Chiral centers
1.0
Largest ring
6.0
QED
0.75
Structural alerts
2
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Related compounds
Custom attributes
(extracted from source data)
Pathway
Membrane Transporter/Ion Channel
Neuronal Signaling
Target
Monoamine transporter
Calcium Channel
GABA Receptor
Sodium Channel
MOA
Monoamine Transporter
Source data
