| Compound Information | SONAR Target prediction |
| Name: | HEMATEIN |
| Unique Identifier: | SPE01502253 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 288.168 g/mol |
| X log p: | 8.273 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 26.3 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 6 |
| Rotatable Bond Count: | 0 |
| Canonical Smiles: | Oc1ccc2c(OCC3(O)Cc4cc(=O)c(O)cc4=C23)c1O |
| Class: | benzopyran |
| Source: | logwood, Haematoxylon spp. |
| Reference: | J Chem Soc 93: 115 (1908) |
| Found: 591 nonactive | as graph: single | with analogs | [1] << Back 501 502 503 504 505 506 507 508 509 510 Next >> [591] |
| Species: | 4932 |
| Condition: | MKK1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.8130±0.0212132 |
| Normalized OD Score: sc h | 1.0197±0.00340402 |
| Z-Score: | 0.5611±0.0659514 |
| p-Value: | 0.575156 |
| Z-Factor: | -6.98716 |
| Fitness Defect: | 0.5531 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 1 |
| 10138 |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 968 | Additional Members: 2 | Rows returned: 0 |
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