General
Preferred name
BETULINIC ACID
Synonyms
P&D ID
PD038405
Tags
natural product
available
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 Antitumor and anti-HIV agent; activates NF-kappaB. Also TGR5 agonist (Tocriscreen Plus)
DESCRIPTION Antibiotic; inhibits protein, DNA and RNA synthesis in gram-positive bacteria (Tocris Bioactive Compound Library)
Compound Sets
2
Tocris Bioactive Compound Library
Tocriscreen Plus
External IDs
6
Properties
(calculated by RDKit )
Molecular Weight
456.36
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
5
Aromatic Ring Count
0
cLogP
7.09
TPSA
57.53
Fraction CSP3
0.9
Chiral centers
10.0
Largest ring
6.0
QED
0.44
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target Type
Cell Biology
Primary Target
Apoptosis Inducers
Source data