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

Compound InformationSONAR Target prediction
Name:

Melatonin

Unique Identifier:Prest312
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C13H16N2O2
Molecular Weight:216.151 g/mol
X log p:8.385  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:5
Canonical Smiles:COc1ccc2ncc(CCNC(C)=O)c2c1

Found: 3 nonactive as graph: single | with analogs << Back 1 2 3
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 17310.0000±0
Normalized OD Score: sc h 0.9691±0
Z-Score: -0.8595±0
p-Value: 0.390088
Z-Factor: -91.6114
Fitness Defect: 0.9414
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:6|F9
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.00 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):18603±2417.22394
Plate DMSO Control (-):18347.5±2353.75180
Plate Z-Factor:-21.3877
png
ps
pdf

DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 15603 | Additional Members: 14 | Rows returned: 5
LOPAC 00976 0.442622950819672
LOPAC 01058 0.358490566037736
SPE02300296 0.358490566037736
SPE01500690 0
LOPAC 00520 0

Service provided by the Mike Tyers Laboratory