General
Preferred name
HISTIDINE
Synonyms
L-(-)-Histidine ()
L-histidine ()
DL-Histidine-d3 ()
P&D ID
PD094120
CAS
71-00-1
96185-91-0
184709-11-3
344299-50-9
Tags
natural product
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
3
Cayman Chemical Bioactives
Ki Database
ReFrame library
External IDs
33
Properties
(calculated by RDKit )
Molecular Weight
155.07
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
1
cLogP
-0.64
TPSA
92.0
Fraction CSP3
0.33
Chiral centers
1.0
Largest ring
5.0
QED
0.54
Structural alerts
2
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Custom attributes
(extracted from source data)
MOA
Mitochondrial Metabolism
Pathway
Metabolic Enzyme/Protease
Source data