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

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 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: BCK2
Replicates: 2
Raw OD Value: r im 0.7730±0.00424264
Normalized OD Score: sc h 1.0161±0.000716397
Z-Score: 0.6859±0.11573
p-Value: 0.49423
Z-Factor: -1.36912
Fitness Defect: 0.7048
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|F9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2006-03-29 YYYY-MM-DD
Plate CH Control (+):0.038±0.00151
Plate DMSO Control (-):0.74775±0.01111
Plate Z-Factor:0.9422
png
ps
pdf

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

Service provided by the Mike Tyers Laboratory