General
Preferred name
PD002824
Synonyms
3'-Azido-3'-deoxythymidine ()
P&D ID
PD002824
CAS
73971-82-1
Tags
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 Reverse transcriptase inhibitor; active against HIV-1 virus (LOPAC library)
Compound Sets
2
EU-OPENSCREEN Bioactive Compound Library
LOPAC library
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
267.1
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
1
cLogP
-0.2
TPSA
133.08
Fraction CSP3
0.6
Chiral centers
3.0
Largest ring
6.0
QED
0.45
Structural alerts
1
azo_A(324)
[#7;!R]=[#7]
PAINS Family A
Custom attributes
(extracted from source data)
Selectivity
Reverse Transcriptase
Source data