| Compound Information | SONAR Target prediction |
| Name: | Pentamidine Isethionate |
| Unique Identifier: | LAT003H02 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C23H36N4O10S2 |
| Molecular Weight: | 556.399 g/mol |
| X log p: | 15.108 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 18.46 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 6 |
| Rotatable Bond Count: | 10 |
| Canonical Smiles: | NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1.OCCS(O)(=O)=O.OCCS(O)(=O)=O |
| Found: 5 nonactive as graph: single | with analogs | 1 2 3 4 5 Next >> |
| Species: | 4932 |
| Condition: | pdr18h |
| Replicates: | 2 |
| Raw OD Value: r im | 0.5801±0.00629325 |
| Normalized OD Score: sc h | 0.9234±0.023318 |
| Z-Score: | -2.0513±0.816321 |
| p-Value: | 0.0745248 |
| Z-Factor: | -0.852072 |
| Fitness Defect: | 2.5966 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 2 |
| 8813 | 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid |
| 359323 | 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid |
| internal high similarity DBLink | Rows returned: 2 |
| Prest857 | 1.0000 |
| SPE01500641 | 1.0000 |
| active | Cluster 86 | Additional Members: 5 | Rows returned: 1 |
| SPE01500641 | 0 |
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