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Compound InformationSONAR Target prediction
Name:

Bacitracin

Unique Identifier:Prest1333
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C66H103N17O16S
Molecular Weight:1318.88 g/mol
X log p:7.444  (online calculus)
Lipinksi Failures3
TPSA289
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:33
Rotatable Bond Count:35
Canonical Smiles:CCC(C)C(N)C1SCC(N=1)C(=O)NC(CC(C)C)C(=O)NC(CCC(O)=O)C(=O)NC(C(C)CC)C(=
O)NC1CCCCNC(=O)C(CC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C(Cc2ncnc2)NC(=O)C(Cc2c
cccc2)NC(=O)C(NC(=O)C(CCCN)NC1=O)C(C)CC

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 981.0000±0
Normalized OD Score: sc h 1.1145±0
Z-Score: 2.5817±0
p-Value: 0.00983106
Z-Factor: -8.66229
Fitness Defect: 4.6222
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:12|D10
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.30 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):758.5±653.58671
Plate DMSO Control (-):822.5±277.54018
Plate Z-Factor:-66.6597
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 1 | Additional Members: 50 | Rows returned: 141 2 3 Next >> 
LOPAC 00756 0
SPE01503428 0
SPE01503692 0
LAT007G07 0
Prest1291 0
LAT007H07 0

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