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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 201 202 203 204 205 Next >> [205]
Species: 4932
Condition: VPS35
Replicates: 2
Raw OD Value: r im 0.6969±0.00601041
Normalized OD Score: sc h 1.0045±0.00715511
Z-Score: 0.2193±0.354648
p-Value: 0.806598
Z-Factor: -10.4844
Fitness Defect: 0.2149
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|B4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2008-02-20 YYYY-MM-DD
Plate CH Control (+):0.041874999999999996±0.00033
Plate DMSO Control (-):0.6765249999999999±0.01775
Plate Z-Factor:0.9139
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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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