| Compound Information | SONAR Target prediction | | Name: | ESCULETIN | | Unique Identifier: | SPE01500899 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 172.094 g/mol | | X log p: | 8.826 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 26.3 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | Oc1cc2OC(=O)C=Cc2cc1O | | Class: | coumarin | | Source: | Aesculus and Solanaceae spp | | Therapeutics: | antifungal |
| Species: |
4932 |
| Condition: |
AAT2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7292±0.00282843 |
| Normalized OD Score: sc h |
1.0035±0.0047325 |
| Z-Score: |
0.1804±0.247625 |
| p-Value: |
0.858974 |
| Z-Factor: |
-6.63374 |
| Fitness Defect: |
0.152 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 8|E2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.00 Celcius | | Date: | 2008-04-08 YYYY-MM-DD | | Plate CH Control (+): | 0.040275±0.00088 | | Plate DMSO Control (-): | 0.716475±0.01206 | | Plate Z-Factor: | 0.9368 |
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| DBLink | Rows returned: 1 | |
| internal high similarity DBLink | Rows returned: 4 | |
| active | Cluster 16508 | Additional Members: 6 | Rows returned: 0 | |
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