General
Preferred name
PMID8576905C4
Synonyms
compound 4 [PMID: 8576905] ()
P&D ID
PD048398
Tags
drug candidate
Drug indication
Discovery agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION ChEMBL represents this compound without the charges. (GtoPdb)
Compound Sets
2
DrugMAP
Guide to Pharmacology
External IDs
5
Properties
(calculated by RDKit )
Molecular Weight
405.15
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
0
Rotatable Bonds
12
Ring Count
0
Aromatic Ring Count
0
cLogP
3.36
TPSA
120.39
Fraction CSP3
0.67
Chiral centers
1.0
Largest ring
0.0
QED
0.21
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data