| 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: |
VBA3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6763±0.00494975 |
| Normalized OD Score: sc h |
1.0005±0.00210295 |
| Z-Score: |
0.0268±0.110292 |
| p-Value: |
0.93786 |
| Z-Factor: |
-8.60328 |
| Fitness Defect: |
0.0642 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 16|B4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.70 Celcius | | Date: | 2008-03-12 YYYY-MM-DD | | Plate CH Control (+): | 0.0417±0.00098 | | Plate DMSO Control (-): | 0.6560250000000001±0.01715 | | Plate Z-Factor: | 0.8966 |
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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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