UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(2-cyclopropyl-2-oxo-ethyl)pyrimidine-2,4-dione 1-(2-cyclopropyl-2-oxo-ethyl)pyr…

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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) -0.89 3.26 -18.05 1 5 0 72 194.19 3 ↓

Analogs

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Popular Name: 1-(2-cyclopropyl-2-oxo-ethyl)-5-fluoro-pyrimidine-2,4-dione 1-(2-cyclopropyl-2-oxo-ethyl)-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) -0.48 3.33 -17.67 1 5 0 72 212.18 3 ↓
Hi High (pH 8-9.5) -0.02 0.6 -58.12 0 5 -1 75 211.172 3 ↓

Analogs

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Popular Name: 5-bromo-1-(2-cyclopropyl-2-oxo-ethyl)pyrimidine-2,4-dione 5-bromo-1-(2-cyclopropyl-2-oxo-e…

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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) 0.17 3.88 -16.27 1 5 0 72 273.086 3 ↓
Hi High (pH 8-9.5) 0.62 1.19 -55.8 0 5 -1 75 272.078 3 ↓

Analogs

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Popular Name: 1-(2-cyclopropyl-2-oxo-ethyl)-5-nitro-pyrimidine-2,4-dione 1-(2-cyclopropyl-2-oxo-ethyl)-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) -0.68 4.92 -21.83 1 8 0 118 239.187 4 ↓
Mid Mid (pH 6-8) -0.23 2.33 -58.53 0 8 -1 121 238.179 4 ↓

Parameters Provided:

ring.id = 246240
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 = 246240 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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