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Compound InformationSONAR Target prediction
Name:

Avermectin B1

Unique Identifier:Prest10
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C46H67O14R
Molecular Weight:783.539 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:[R]C(C)C1OC2(CC3CC(CC=C(C)C(OC4CC(OC)C(OC5CC(OC)C(O)C(C)O5)C(C)O4)C(C)
C=CC=C4COC5C(O)C(C)=CC(C(=O)O3)C54O)O2)C=CC1C

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 1836.0000±0
Normalized OD Score: sc h 0.9022±0
Z-Score: -2.2051±0
p-Value: 0.0274458
Z-Factor: -603.716
Fitness Defect: 3.5955
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:9|B11
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.30 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):934.5±887.42587
Plate DMSO Control (-):1947.5±635.64730
Plate Z-Factor:-4.7271
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 12611 | Additional Members: 6 | Rows returned: 3
SPE01503720 0.302325581395349
SPE01502260 0.1875
LOPAC 00986 0

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