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Compound InformationSONAR Target prediction
Name:

CHLORHEXIDINE

Unique Identifier:SPE01500177
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:546.114 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:Cl.Cl.Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1
Source:synthetic
Therapeutics:antibacterial (topical), disinfectant

Found: 7 nonactive | as graph: single | with analogs 2 3 4 5 6 7 Next >> 
Species: 4932
Condition: BY4741-2nd
Replicates: 2
Raw OD Value: r im 0.0402±0
Normalized OD Score: sc h 0.9650±0
Z-Score: -0.2539±0
p-Value: 0.79959
Z-Factor: -1.87947
Fitness Defect: 0.2237
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:7|G10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.80 Celcius
Date:2008-02-08 YYYY-MM-DD
Plate CH Control (+):0.040275±0.00068
Plate DMSO Control (-):0.6813±0.01828
Plate Z-Factor:0.9056
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 3172 | Additional Members: 6 | Rows returned: 3
Prest42 0.547169811320755
SPE01503074 0.547169811320755
LAT002C07 0

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