Compound Information | SONAR Target prediction | Name: | SIMAZINE | Unique Identifier: | SPE00330028 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 189.561 g/mol | X log p: | -0.819 (online calculus) | Lipinksi Failures | 0 | TPSA | 37.08 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 5 | Rotatable Bond Count: | 4 | Canonical Smiles: | CCNc1nc(Cl)nc(NCC)n1 | Source: | synthetic | Therapeutics: | herbicide |
Species: |
4932 |
Condition: |
ABP1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6888±0.000212132 |
Normalized OD Score: sc h |
0.9945±0.00589645 |
Z-Score: |
-0.2909±0.311086 |
p-Value: |
0.776442 |
Z-Factor: |
-12.5539 |
Fitness Defect: |
0.253 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 11|F7 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 22.80 Celcius | Date: | 2007-12-20 YYYY-MM-DD | Plate CH Control (+): | 0.0426±0.00145 | Plate DMSO Control (-): | 0.66865±0.01467 | Plate Z-Factor: | 0.9247 |
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DBLink | Rows returned: 3 | |
5216 |
6-chloro-N,N--diethyl-1,3,5-triazine-2,4-diamine |
18326 |
6-chloro-N-ethyl-N--methyl-1,3,5-triazine-2,4-diamine |
5066047 |
(4-chloro-6-ethylamino-1,3,5-triazin-2-yl)-ethyl-azanium |
internal high similarity DBLink | Rows returned: 2 | |
active | Cluster 332 | Additional Members: 6 | Rows returned: 0 | |
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