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

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 << Back 1 2 3
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 15937.0000±0
Normalized OD Score: sc h 0.9040±0
Z-Score: -2.6697±0
p-Value: 0.00759132
Z-Factor: -11.9977
Fitness Defect: 4.8807
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 (+):17809.5±2259.84799
Plate DMSO Control (-):17786.5±3564.04555
Plate Z-Factor:-19.1868
png
ps
pdf

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

Service provided by the Mike Tyers Laboratory