UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5Z)-1-(2-fluorophenyl)-5-[(morpholinoamino)methylene]hexahydropyrimidine-2,4,6-trione (5Z)-1-(2-fluorophenyl)-5-[(morp…

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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) 0.45 1.21 -51.71 1 8 -1 100 333.299 3 ↓
Lo Low (pH 4.5-6) -0.01 2.98 -12.59 2 8 0 96 334.307 3 ↓

Analogs

8837771
8837771

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Popular Name: (5Z)-1-(4-chlorophenyl)-5-[(morpholinoamino)methylene]hexahydropyrimidine-2,4,6-trione (5Z)-1-(4-chlorophenyl)-5-[(morp…

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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) 0.80 1.48 -43.41 1 8 -1 100 349.754 3 ↓
Lo Low (pH 4.5-6) 0.34 3.25 -8.98 2 8 0 96 350.762 3 ↓

Analogs

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Popular Name: (5Z)-1-(4-isopropylphenyl)-5-[(morpholinoamino)methylene]hexahydropyrimidine-2,4,6-trione (5Z)-1-(4-isopropylphenyl)-5-[(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) 1.63 2.92 -47.97 1 8 -1 100 357.39 4 ↓
Lo Low (pH 4.5-6) 1.18 4.7 -9.98 2 8 0 96 358.398 4 ↓

Analogs

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Popular Name: (5Z)-1-(2-ethoxyphenyl)-5-[(morpholinoamino)methylene]hexahydropyrimidine-2,4,6-trione (5Z)-1-(2-ethoxyphenyl)-5-[(morp…

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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 1.44 -54.1 1 9 -1 109 359.362 5 ↓
Lo Low (pH 4.5-6) 0.26 3.23 -12.99 2 9 0 106 360.37 5 ↓

Analogs

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Popular Name: (5Z)-1-(3-chlorophenyl)-5-[(morpholinoamino)methylene]hexahydropyrimidine-2,4,6-trione (5Z)-1-(3-chlorophenyl)-5-[(morp…

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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) 0.99 1.47 -45.11 1 8 -1 100 349.754 3 ↓

Parameters Provided:

ring.id = 56584
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 = 56584 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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