Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 << Back 1 2 3 4 5 6 7
Species: 4932
Condition: RAD50
Replicates: 2
Raw OD Value: r im 0.5848±0.020294
Normalized OD Score: sc h 0.9094±0.014947
Z-Score: -3.5859±0.528095
p-Value: 0.000695452
Z-Factor: -0.582976
Fitness Defect: 7.2709
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:18|B2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2007-09-07 YYYY-MM-DD
Plate CH Control (+):0.04227499999999999±0.00180
Plate DMSO Control (-):0.630675±0.02269
Plate Z-Factor:0.8688
png
ps
pdf

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

Service provided by the Mike Tyers Laboratory