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Analogs

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Popular Name: 5-ethyl-1,3-dimethyl-5-[2-(4-pyridyl)ethyl]hexahydropyrimidine-2,4,6-trione 5-ethyl-1,3-dimethyl-5-[2-(4-pyr…

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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) 0.72 5.66 -7.33 0 6 0 71 289.335 4 ↓
Lo Low (pH 4.5-6) 0.72 6.11 -37.04 1 6 1 72 290.343 4 ↓

Analogs

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Popular Name: 5-butyl-1,3-dimethyl-5-[2-(4-pyridyl)ethyl]hexahydropyrimidine-2,4,6-trione 5-butyl-1,3-dimethyl-5-[2-(4-pyr…

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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) 1.79 7.21 -7.23 0 6 0 71 317.389 6 ↓
Lo Low (pH 4.5-6) 1.79 7.67 -37.14 1 6 1 72 318.397 6 ↓

Analogs

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Popular Name: 5-[(1R)-1-methylpropyl]-5-[2-(4-pyridyl)ethyl]hexahydropyrimidine-2,4,6-trione 5-[(1R)-1-methylpropyl]-5-[2-(4-…

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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) 1.64 2.46 -7.63 2 6 0 88 289.335 5 ↓
Hi High (pH 8-9.5) 1.50 -0.1 -36.9 1 6 -1 94 288.327 5 ↓
Hi High (pH 8-9.5) 0.94 -0.05 -36.51 1 6 -1 94 288.327 5 ↓

Analogs

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Popular Name: 5-[(1S)-1-methylpropyl]-5-[2-(4-pyridyl)ethyl]hexahydropyrimidine-2,4,6-trione 5-[(1S)-1-methylpropyl]-5-[2-(4-…

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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) 1.64 2.48 -7.56 2 6 0 88 289.335 5 ↓
Hi High (pH 8-9.5) 0.94 -0.02 -36.69 1 6 -1 94 288.327 5 ↓
Hi High (pH 8-9.5) 1.50 -0.09 -37.41 1 6 -1 94 288.327 5 ↓

Parameters Provided:

ring.id = 195281
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 = 195281 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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