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Analogs

9045659
9045659

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Popular Name: (5E)-5-[(3-imidazol-1-ylpropylamino)methylene]-1-methyl-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) -1.51 3.71 -17.03 2 8 0 102 277.284 5 ↓
Ref Reference (pH 7) -1.51 3.71 -17.11 2 8 0 102 277.284 5 ↓
Mid Mid (pH 6-8) -1.51 4.22 -44.94 3 8 1 103 278.292 5 ↓

Analogs

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

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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) -0.07 6.23 -16.68 2 8 0 102 319.365 8 ↓
Mid Mid (pH 6-8) -0.07 6.74 -44.72 3 8 1 103 320.373 8 ↓

Parameters Provided:

ring.id = 56834
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 = 56834 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=56834&filter.purchasability=annotated

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