Compound Information | SONAR 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 Failures | 1 | TPSA | 34.14 | 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) |
Species: |
4932 |
Condition: |
BNI4 |
Replicates: |
2 |
Raw OD Value: r im |
0.6808±0.035921 |
Normalized OD Score: sc h |
1.0380±0.0031604 |
Z-Score: |
1.1839±0.191638 |
p-Value: |
0.240756 |
Z-Factor: |
-3.03073 |
Fitness Defect: |
1.424 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 3|F9 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.60 Celcius | Date: | 2006-03-22 YYYY-MM-DD | Plate CH Control (+): | 0.038775±0.00066 | Plate DMSO Control (-): | 0.6373249999999999±0.02074 | Plate Z-Factor: | 0.9281 |
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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 | |
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