General
Preferred name
Azulene
Synonyms
Bicyclo[5.3.0]Decapentaene ()
Cyclopentacycloheptene ()
P&D ID
PD157986
CAS
275-51-4
Tags
available
natural product
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
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
128.06
Hydrogen Bond Acceptors
0
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
0
cLogP
2.79
TPSA
0.0
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
7.0
QED
0.51
QED
0.51
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Target
HIV
Source data
