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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 11 12 13 14 15 16 17 18 19 20  Next >> [205]
Species: 4932
Condition: CIN8
Replicates: 2
Raw OD Value: r im 0.8020±0.00325269
Normalized OD Score: sc h 1.0095±0.00491161
Z-Score: 1.0871±0.252321
p-Value: 0.28459
Z-Factor: -2.11414
Fitness Defect: 1.2567
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|F9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.20 Celcius
Date:2006-02-24 YYYY-MM-DD
Plate CH Control (+):0.039599999999999996±0.00134
Plate DMSO Control (-):0.766075±0.01262
Plate Z-Factor:0.9382
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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

active | Cluster 367 | Additional Members: 6 | Rows returned: 0

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