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Compound InformationSONAR Target prediction
Name:

VERATRINE SULFATE

Unique Identifier:SPE00310300
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:639.415 g/mol
X log p:-0.855000000000001  (online calculus)
Lipinksi Failures0
TPSA38.77
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:10
Rotatable Bond Count:3
Canonical Smiles:CC=C(C)C(=O)OC1CCC2(C)C3CCC4C5(O)CC(O)C6(O)C(CN7CC(C)CCC7C6(C)O)C5(O)C
C42OC13O.OS(O)(=O)=O
Source:Schoenocaulon officinale; shown as cevadine
Therapeutics:antihypertensive

Found: 590 nonactive | as graph: single | with analogs [1] << Back 401 402 403 404 405 406 407 408 409 410  Next >> [590]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.7334±0.0115258
Normalized OD Score: sc h 1.0016±0.00124999
Z-Score: 0.0861±0.0680084
p-Value: 0.931444
Z-Factor: -8.43868
Fitness Defect: 0.071
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|A5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.0403±0.00082
Plate DMSO Control (-):0.7129749999999999±0.01080
Plate Z-Factor:0.9359
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DBLink | Rows returned: 2
5351532
5702002

internal high similarity DBLink | Rows returned: 1
SPE01503815 0.9533

active | Cluster 14579 | Additional Members: 6 | Rows returned: 0
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