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Analogs

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Popular Name: 2-methyl-5-oxo-1-(2,4,6-trichlorophenyl)-1,2,4-triazole-3-carboxylic 2-methyl-5-oxo-1-(2,4,6-trichlor…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 5.63 -31.02 2 6 1 78 323.543 2 ↓
Mid Mid (pH 6-8) 2.44 4.48 -13.73 1 6 0 77 322.535 2 ↓

Analogs

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Popular Name: 2,5-Dihydro-5-oxo-1-phenyl-1H-1,2,4-triazole-3-car boxylic acid [2-(dimethylamino)ethyl]amide 2,5-Dihydro-5-oxo-1-phenyl-1H-1,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.20 2.34 -33.83 3 9 1 111 320.329 5 ↓
Mid Mid (pH 6-8) -0.20 1.16 -14.4 2 9 0 109 319.321 5 ↓

Parameters Provided:

ring.id = 74378
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 74378 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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