General
Preferred name
ISOPROTHIOLANE
Synonyms
P&D ID
PD075182
CAS
50512-35-1
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
2
DrugMatrix
MedChem Express Bioactive Compound Library
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
290.06
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
1
Aromatic Ring Count
0
cLogP
2.58
TPSA
52.6
Fraction CSP3
0.67
Chiral centers
0.0
Largest ring
5.0
QED
0.34
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Target
Fungal
Source data