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Compound InformationSONAR Target prediction
Name:

PISCIDIC ACID

Unique Identifier:SPE00200427
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:244.113 g/mol
X log p:5.057  (online calculus)
Lipinksi Failures1
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:5
Canonical Smiles:OC(C(O)=O)C(O)(Cc1ccc(O)cc1)C(O)=O
Class:aromatic
Source:Piscidia piscipula
Reference:J Chem Soc 1954: 3981; Acta Chem Scand 18: 1979 (1964); 20: 1431 (1966);
Phytochemistry 18: 815 (1971)

Found: 205 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [205]
Species: 4932
Condition: CLA4
Replicates: 2
Raw OD Value: r im 0.6784±0.000282843
Normalized OD Score: sc h 0.9871±0.0040064
Z-Score: -0.5668±0.15443
p-Value: 0.573118
Z-Factor: -12.6027
Fitness Defect: 0.5567
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|F9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2007-09-12 YYYY-MM-DD
Plate CH Control (+):0.04025±0.00093
Plate DMSO Control (-):0.67225±0.02596
Plate Z-Factor:0.8920
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DBLink | Rows returned: 3
120693 2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid
181726 2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid
6710641 (2S,3R)-2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 367 | Additional Members: 6 | Rows returned: 4
LOPAC 01043 0.4
LOPAC 00581 0
LOPAC 00585 0
SPE02300312 0

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