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Analogs

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Popular Name: 1-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]-2,2,2-trifluoro-ethanone 1-[1-[(4,5-dimethyl-1,2,4-triazo…

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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) -0.15 4.59 -21.51 0 7 0 79 274.206 4 ↓

Analogs

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Popular Name: 2-[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]propan-2-amine 2-[1-[(4,5-dimethyl-1,2,4-triazo…

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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) -0.41 2.93 -65.23 3 7 1 89 236.303 3 ↓
Hi High (pH 8-9.5) -0.41 2.68 -21.51 2 7 0 87 235.295 3 ↓

Parameters Provided:

ring.id = 103944
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 = 103944 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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