General
Preferred name
Statin
Synonyms
SIMVASTATIN ()
P&D ID
PD055475
Tags
available
drug candidate
natural product
Drug indication
Hypercholesterolaemia
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
2
DrugMAP
DrugMatrix
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
418.27
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
1
Rotatable Bonds
6
Ring Count
3
Aromatic Ring Count
0
cLogP
4.59
TPSA
72.83
Fraction CSP3
0.76
Chiral centers
7.0
Largest ring
6.0
QED
0.64
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
