General
Preferred name
bongkrek acid
Synonyms
Bongkrekic acid ()
Bongkrekic Acid (ammonium salt) ()
Bongkrekic Acid ()
13C28-Bongkrekic Acid ()
P&D ID
PD041781
CAS
11002-93-0
11076-19-0
94188-24-6
Tags
available
drug candidate
natural product
nuisance
Drug indication
Discovery agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
8
Cayman Chemical Bioactives
19079
38230
39454
Concise Guide to Pharmacology 2017/18
4689
Concise Guide to Pharmacology 2019/20
4689
Concise Guide to Pharmacology 2021/22
4689
Concise Guide to Pharmacology 2023/24
4689
DrugMAP
DMWALXQ
Guide to Pharmacology
4689
Nuisance compounds in cellular assays
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
486.26
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
3
Rotatable Bonds
17
Ring Count
0
Aromatic Ring Count
0
cLogP
5.89
TPSA
121.13
Fraction CSP3
0.39
Chiral centers
2.0
Largest ring
0.0
QED
0.1
Structural alerts
1
Mitochondrial poison
Nuisance compounds
Related compounds
Custom attributes
(extracted from source data)
Source data