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Popular Name: 6-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]-2H-1,2,4-triazine-3,5-dione 6-[(1,3-dimethylpyrazol-4-yl)met…

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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) -0.99 1.65 -11.83 2 8 0 100 250.262 3 ↓
Mid Mid (pH 6-8) -0.53 0.05 -43.61 1 8 -1 103 249.254 3 ↓

Analogs

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Popular Name: 6-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]amino]-2H-1,2,4-triazine-3,5-dione 6-[[(1S)-1-(1,3-dimethylpyrazol-…

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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) -0.67 0.14 -10.02 3 8 0 108 250.262 3 ↓
Mid Mid (pH 6-8) -0.22 -1.52 -38.97 2 8 -1 112 249.254 3 ↓

Parameters Provided:

ring.id = 564669
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 = 564669 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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