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Compound InformationSONAR Target prediction
Name:

Chlorhexidine

Unique Identifier:Prest53
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22Cl2H30N10
Molecular Weight:475.208 g/mol
X log p:15.712  (online calculus)
Lipinksi Failures2
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:10
Rotatable Bond Count:17
Canonical Smiles:Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1

Found: 3 nonactive as graph: single | with analogs << Back 1 2 3
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 18807.0000±0
Normalized OD Score: sc h 1.0145±0
Z-Score: 0.4023±0
p-Value: 0.68746
Z-Factor: -7.29761
Fitness Defect: 0.3748
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:2|G4
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.40 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):18614.5±2372.77494
Plate DMSO Control (-):18453±1651.99066
Plate Z-Factor:-21.7740
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 3172 | Additional Members: 6 | Rows returned: 4
Prest42 0.547169811320755
SPE01503074 0.547169811320755
SPE01500177 0
LAT002C07 0

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