General
Preferred name
Isopentane
Synonyms
P&D ID
PD143704
CAS
78-78-4
68923-44-4
68513-65-5
Tags
available
drug candidate
Drug Status
investigational
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
DrugBank
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
72.09
Hydrogen Bond Acceptors
0
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
0
Aromatic Ring Count
0
cLogP
2.05
TPSA
0.0
Fraction CSP3
1.0
Chiral centers
0.0
Largest ring
0.0
QED
0.44
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
