| Compound Information | SONAR Target prediction | | Name: | ADENINE | | Unique Identifier: | SPE01500807 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 130.087 g/mol | | X log p: | 2.386 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 37.08 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 5 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | Nc1ncnc2ncnc12 | | Class: | alkaloid | | Source: | widespread in nature | | Reference: | Ber 18: 79, 1928 (1885) | | Therapeutics: | Vitamin B4 |
| Species: |
4932 |
| Condition: |
NAT1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6909±0.00233345 |
| Normalized OD Score: sc h |
0.9834±0.00545266 |
| Z-Score: |
-0.9765±0.291953 |
| p-Value: |
0.339054 |
| Z-Factor: |
-4.39273 |
| Fitness Defect: |
1.0816 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 19|F2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.70 Celcius | | Date: | 2008-06-26 YYYY-MM-DD | | Plate CH Control (+): | 0.040275±0.00070 | | Plate DMSO Control (-): | 0.69565±0.01295 | | Plate Z-Factor: | 0.9248 |
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| DBLink | Rows returned: 0 | |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 13905 | Additional Members: 3 | Rows returned: 0 | |
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