General
Preferred name
Mesaconitine
Synonyms
P&D ID
PD086903
CAS
2752-64-9
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
1
AdooQ Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
8
Properties
(calculated by RDKit )
Molecular Weight
631.3
Hydrogen Bond Acceptors
12
Hydrogen Bond Donors
3
Rotatable Bonds
8
Ring Count
7
Aromatic Ring Count
1
cLogP
0.26
TPSA
153.45
Fraction CSP3
0.76
Chiral centers
15.0
Largest ring
6.0
QED
0.34
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
