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Analogs

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Popular Name: (5E)-1-(2,5-dimethoxyphenyl)-5-[(3-imidazol-1-ylpropylamino)methylene]hexahydropyrimidine-2,4,6-trio (5E)-1-(2,5-dimethoxyphenyl)-5-[…

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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) 0.23 5.86 -23.5 2 10 0 120 399.407 8 ↓
Mid Mid (pH 6-8) 0.23 6.36 -50.39 3 10 1 122 400.415 8 ↓

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Popular Name: (5E)-1-(4-bromophenyl)-5-[(3-imidazol-1-ylpropylamino)methylene]hexahydropyrimidine-2,4,6-trione (5E)-1-(4-bromophenyl)-5-[(3-imi…

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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) 0.57 7.71 -17.93 2 8 0 102 418.251 6 ↓
Mid Mid (pH 6-8) 0.57 8.22 -45.93 3 8 1 103 419.259 6 ↓

Analogs

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Popular Name: (5E)-5-[(3-imidazol-1-ylpropylamino)methylene]-1-(p-tolyl)hexahydropyrimidine-2,4,6-trione (5E)-5-[(3-imidazol-1-ylpropylam…

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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) 0.21 7.76 -19.39 2 8 0 102 353.382 6 ↓
Mid Mid (pH 6-8) 0.21 8.27 -46.86 3 8 1 103 354.39 6 ↓

Analogs

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Popular Name: (5E)-5-[(3-imidazol-1-ylpropylamino)methylene]-1-(2,4,6-trimethylphenyl)hexahydropyrimidine-2,4,6-tr (5E)-5-[(3-imidazol-1-ylpropylam…

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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) 1.39 9.86 -19.86 2 8 0 102 381.436 6 ↓
Ref Reference (pH 7) 1.39 9.86 -19.89 2 8 0 102 381.436 6 ↓
Mid Mid (pH 6-8) 1.39 10.37 -47.2 3 8 1 103 382.444 6 ↓

Parameters Provided:

ring.id = 56416
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 = 56416 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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