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: |
SWE1 |
Replicates: |
2 |
Raw OD Value: r im |
0.7135±0.0205061 |
Normalized OD Score: sc h |
1.0219±0.00144471 |
Z-Score: |
1.1329±0.135484 |
p-Value: |
0.259452 |
Z-Factor: |
-1.24354 |
Fitness Defect: |
1.3492 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 16|B4 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.30 Celcius | Date: | 2008-05-13 YYYY-MM-DD | Plate CH Control (+): | 0.04115±0.00711 | Plate DMSO Control (-): | 0.6912750000000001±0.01761 | Plate Z-Factor: | 0.8969 |
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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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