UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(1-{[2-(diethylamino)ethyl]amino}ethylidene)-1-(2-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione 5-(1-{[2-(diethylamino)ethyl]ami…

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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) 1.65 7.92 -49.11 3 7 1 88 359.45 7 ↓

Analogs

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Popular Name: 5-(1-{[2-(diethylamino)ethyl]amino}ethylidene)-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione 5-(1-{[2-(diethylamino)ethyl]ami…

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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) 1.10 6.12 -49.27 3 8 1 98 375.449 8 ↓

Analogs

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Popular Name: (5E)-5-[(3-dimethylaminopropylamino)methylene]-1-(o-tolyl)hexahydropyrimidine-2,4,6-trione (5E)-5-[(3-dimethylaminopropylam…

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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 6.88 -49.81 3 7 1 88 331.396 6 ↓
Hi High (pH 8-9.5) 0.72 4.4 -12.09 2 7 0 87 330.388 6 ↓
Hi High (pH 8-9.5) 0.72 4.4 -12.14 2 7 0 87 330.388 6 ↓

Analogs

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Popular Name: (5E)-5-[(2-dimethylaminoethylamino)methylene]-1-(4-ethylphenyl)hexahydropyrimidine-2,4,6-trione (5E)-5-[(2-dimethylaminoethylami…

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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) 0.76 6.45 -51.47 3 7 1 88 331.396 6 ↓
Hi High (pH 8-9.5) 0.76 3.99 -10.25 2 7 0 87 330.388 6 ↓

Analogs

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Popular Name: (5E)-5-[(2-dimethylaminoethylamino)methylene]-1-(o-tolyl)hexahydropyrimidine-2,4,6-trione (5E)-5-[(2-dimethylaminoethylami…

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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) 0.46 6.09 -51.75 3 7 1 88 317.369 5 ↓
Ref Reference (pH 7) 0.46 6.09 -52.26 3 7 1 88 317.369 5 ↓
Hi High (pH 8-9.5) 0.46 3.62 -11.08 2 7 0 87 316.361 5 ↓

Analogs

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Popular Name: (5E)-5-[(2-diethylaminoethylamino)methylene]-1-(2-ethoxyphenyl)hexahydropyrimidine-2,4,6-trione (5E)-5-[(2-diethylaminoethylamin…

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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) 1.19 6.77 -52.07 3 8 1 98 375.449 9 ↓
Hi High (pH 8-9.5) 1.19 4.67 -12.96 2 8 0 96 374.441 9 ↓

Analogs

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Popular Name: (5E)-5-[(3-dimethylaminopropylamino)methylene]-1-(4-ethylphenyl)hexahydropyrimidine-2,4,6-trione (5E)-5-[(3-dimethylaminopropylam…

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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) 1.03 7.24 -48.73 3 7 1 88 345.423 7 ↓
Ref Reference (pH 7) 1.03 7.24 -49.05 3 7 1 88 345.423 7 ↓
Hi High (pH 8-9.5) 1.03 4.77 -11.29 2 7 0 87 344.415 7 ↓

Analogs

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Popular Name: (5E)-5-[(3-dimethylaminopropylamino)methylene]-1-(m-tolyl)hexahydropyrimidine-2,4,6-trione (5E)-5-[(3-dimethylaminopropylam…

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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) 0.75 6.48 -49.48 3 7 1 88 331.396 6 ↓

Analogs

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Popular Name: (5E)-5-[(2-dimethylaminoethylamino)methylene]-1-(p-tolyl)hexahydropyrimidine-2,4,6-trione (5E)-5-[(2-dimethylaminoethylami…

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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) 0.29 5.7 -51.77 3 7 1 88 317.369 5 ↓
Hi High (pH 8-9.5) 0.29 3.22 -10.5 2 7 0 87 316.361 5 ↓
Hi High (pH 8-9.5) 0.29 3.22 -10.53 2 7 0 87 316.361 5 ↓

Analogs

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Popular Name: (5E)-1-(3-chlorophenyl)-5-[(3-dimethylaminopropylamino)methylene]hexahydropyrimidine-2,4,6-trione (5E)-1-(3-chlorophenyl)-5-[(3-di…

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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) 0.98 6.29 -49.3 3 7 1 88 351.814 6 ↓

Analogs

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Popular Name: (5E)-5-[(2-dimethylaminoethylamino)methylene]-1-(4-ethoxyphenyl)hexahydropyrimidine-2,4,6-trione (5E)-5-[(2-dimethylaminoethylami…

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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) 0.28 5.24 -51.55 3 8 1 98 347.395 7 ↓
Ref Reference (pH 7) 0.28 5.24 -52.1 3 8 1 98 347.395 7 ↓
Hi High (pH 8-9.5) 0.28 2.77 -10.66 2 8 0 96 346.387 7 ↓

Analogs

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Popular Name: (5E)-5-[(2-dimethylaminoethylamino)methylene]-1-(4-isopropylphenyl)hexahydropyrimidine-2,4,6-trione (5E)-5-[(2-dimethylaminoethylami…

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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) 1.36 6.94 -50.91 3 7 1 88 345.423 6 ↓
Ref Reference (pH 7) 1.36 6.94 -51.37 3 7 1 88 345.423 6 ↓
Hi High (pH 8-9.5) 1.36 4.48 -10.04 2 7 0 87 344.415 6 ↓

Analogs

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Popular Name: (5E)-5-[(2-dimethylaminoethylamino)methylene]-1-(2-ethoxyphenyl)hexahydropyrimidine-2,4,6-trione (5E)-5-[(2-dimethylaminoethylami…

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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) 0.44 5.42 -53.94 3 8 1 98 347.395 7 ↓
Hi High (pH 8-9.5) 0.44 2.94 -13.38 2 8 0 96 346.387 7 ↓

Analogs

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Popular Name: (5E)-5-[(3-dimethylaminopropylamino)methylene]-1-(4-ethoxyphenyl)hexahydropyrimidine-2,4,6-trione (5E)-5-[(3-dimethylaminopropylam…

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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) 0.55 6.04 -49.12 3 8 1 98 361.422 8 ↓
Ref Reference (pH 7) 0.55 6.03 -49.57 3 8 1 98 361.422 8 ↓
Hi High (pH 8-9.5) 0.55 3.56 -11.65 2 8 0 96 360.414 8 ↓

Analogs

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

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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) 0.56 6.49 -49.34 3 7 1 88 331.396 6 ↓

Analogs

533457
533457

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Popular Name: (5E)-5-[1-(2-dimethylaminoethylamino)ethylidene]-1-phenyl-hexahydropyrimidine-2,4,6-trione (5E)-5-[1-(2-dimethylaminoethyla…

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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) 0.29 5.47 -52.27 3 7 1 88 317.369 5 ↓
Hi High (pH 8-9.5) 0.29 2.94 -9.95 2 7 0 87 316.361 5 ↓
Hi High (pH 8-9.5) 0.65 5.3 -49.27 3 7 0 94 316.361 6 ↓

Analogs

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

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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) 2.17 6.74 -11.03 2 7 0 93 359.426 8 ↓

Analogs

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Popular Name: (5Z)-5-(butylaminomethylene)-1-(4-ethoxyphenyl)hexahydropyrimidine-2,4,6-trione (5Z)-5-(butylaminomethylene)-1-(…

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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) 1.68 5.4 -11.07 2 7 0 93 331.372 7 ↓

Analogs

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Popular Name: N'-[(E)-[1-(4-iodophenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]pentanehydrazide N'-[(E)-[1-(4-iodophenyl)-2,4,6-…

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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) 1.92 5.77 -16.44 3 8 0 113 456.24 6 ↓

Parameters Provided:

ring.id = 55319
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 = 55319 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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