UCSF
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Analogs

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Popular Name: 2,4-dimethyl-6-[(6-methyl-3-pyridyl)methylamino]-1,2,4-triazine-3,5-dione 2,4-dimethyl-6-[(6-methyl-3-pyri…

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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) -0.88 3.61 -8.73 1 7 0 82 261.285 3 ↓
Lo Low (pH 4.5-6) -0.88 4.05 -38.38 2 7 1 83 262.293 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(6-methyl-3-pyridyl)methylamino]-2H-1,2,4-triazine-3,5-dione 6-[(6-methyl-3-pyridyl)methylami…

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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) -1.02 -0.11 -8.55 3 7 0 104 233.231 3 ↓
Mid Mid (pH 6-8) -0.56 -1.79 -37.44 2 7 -1 107 232.223 3 ↓
Lo Low (pH 4.5-6) -1.02 0.32 -38.44 4 7 1 105 234.239 3 ↓

Parameters Provided:

ring.id = 179397
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 = 179397 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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