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Analogs

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Popular Name: (5E)-1-benzyl-5-[[4-[2-(2-sec-butylphenoxy)ethoxy]phenyl]methylene]hexahydropyrimidine-2,4,6-trione (5E)-1-benzyl-5-[[4-[2-(2-sec-bu…

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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) 5.49 10.9 -47.08 0 7 -1 93 497.571 10 ↓
Mid Mid (pH 6-8) 5.03 13.4 -12.4 1 7 0 90 498.579 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-1-benzyl-5-[[4-[2-(2-sec-butylphenoxy)ethoxy]phenyl]methylene]hexahydropyrimidine-2,4,6-trione (5E)-1-benzyl-5-[[4-[2-(2-sec-bu…

Find On: PubMed — Wikipedia — Google

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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) 5.49 10.9 -47.03 0 7 -1 93 497.571 10 ↓
Mid Mid (pH 6-8) 5.03 13.4 -12.43 1 7 0 90 498.579 10 ↓

Analogs

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Popular Name: (5E)-1-benzyl-5-[[3-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methylene]hexahydropyrimidine-2,4,6- (5E)-1-benzyl-5-[[3-methoxy-4-[2…

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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) 4.19 9.55 -47.46 0 8 -1 103 485.516 9 ↓
Mid Mid (pH 6-8) 3.73 11.32 -14.81 1 8 0 100 486.524 9 ↓

Parameters Provided:

ring.id = 95425
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 = 95425 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=95425&filter.purchasability=annotated

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