UCSF
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Analogs

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Popular Name: (5E)-1-(3-chlorophenyl)-5-[(2-morpholinoethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione (5E)-1-(3-chlorophenyl)-5-[(2-mo…

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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) 0.90 4.93 -12.89 2 7 0 79 394.884 5 ↓
Mid Mid (pH 6-8) 0.90 7.2 -57.38 3 7 1 81 395.892 5 ↓

Analogs

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Popular Name: (5E)-1-(2-methoxyphenyl)-5-[(2-morpholinoethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dion (5E)-1-(2-methoxyphenyl)-5-[(2-m…

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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) 0.25 3.85 -15.59 2 8 0 89 390.465 6 ↓
Mid Mid (pH 6-8) 0.25 6.12 -58.77 3 8 1 90 391.473 6 ↓

Analogs

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Popular Name: (5E)-5-[(2-morpholinoethylamino)methylene]-1-(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione (5E)-5-[(2-morpholinoethylamino)…

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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) 0.64 5.37 -13.34 2 7 0 79 374.466 5 ↓
Mid Mid (pH 6-8) 0.64 7.64 -57.38 3 7 1 81 375.474 5 ↓

Analogs

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Popular Name: (5E)-1-(2,5-dimethoxyphenyl)-5-[(2-morpholinoethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6- (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) 0.50 3.14 -16.87 2 9 0 98 420.491 7 ↓
Mid Mid (pH 6-8) 0.50 5.4 -59.95 3 9 1 99 421.499 7 ↓

Analogs

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Popular Name: (5E)-1-(2-chlorophenyl)-5-[(2-morpholinoethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione (5E)-1-(2-chlorophenyl)-5-[(2-mo…

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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) 0.87 5.18 -13.91 2 7 0 79 394.884 5 ↓
Mid Mid (pH 6-8) 0.87 7.45 -57.4 3 7 1 81 395.892 5 ↓

Analogs

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Popular Name: (5E)-5-[(2-morpholinoethylamino)methylene]-1-(m-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione (5E)-5-[(2-morpholinoethylamino)…

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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) 0.67 5.1 -13.24 2 7 0 79 374.466 5 ↓
Mid Mid (pH 6-8) 0.67 7.37 -57.14 3 7 1 81 375.474 5 ↓

Parameters Provided:

ring.id = 56519
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 = 56519 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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