Compound Information | SONAR Target prediction | Name: | Aspartic acid, N-acetyl (R,S) | Unique Identifier: | Prest712 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C6H9NO5 | Molecular Weight: | 166.068 g/mol | X log p: | -2.034 (online calculus) | Lipinksi Failures | 0 | TPSA | 51.21 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 6 | Rotatable Bond Count: | 5 | Canonical Smiles: | CC(=O)NC(CC(O)=O)C(O)=O |
Species: |
9606 |
Condition: |
TMPPre001 |
Replicates: |
2 |
Raw OD Value: r im |
2171.0000±0 |
Normalized OD Score: sc h |
1.0366±0 |
Z-Score: |
0.8250±0 |
p-Value: |
0.409374 |
Z-Factor: |
-5.82627 |
Fitness Defect: |
0.8931 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Prestwick | Plate Number and Position: | 6|B6 | Drug Concentration: | 50.00 nM | OD Absorbance: | 0 nm | Robot Temperature: | 24.00 Celcius | Date: | 2006-10-10 YYYY-MM-DD | Plate CH Control (+): | 1009.5±953.84240 | Plate DMSO Control (-): | 2021±558.06298 | Plate Z-Factor: | -4.4864 |
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65065 |
(2S)-2-acetamidobutanedioic acid |
97508 |
2-acetamidobutanedioic acid |
306130 |
2-acetamido-3-methyl-butanedioic acid |
568312 |
2-acetamido-2-methyl-butanedioic acid |
774916 |
(2R)-2-acetamidobutanedioic acid |
2042020 |
(2S)-2-acetamidobutanedioate |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 12525 | Additional Members: 9 | Rows returned: 0 | |
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