UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(2-cyclopropyl-2-oxo-ethyl)-1-methyl-pyrimidine-2,4-dione 3-(2-cyclopropyl-2-oxo-ethyl)-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) -0.83 5.54 -17.2 0 5 0 61 208.217 3 ↓

Analogs

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Popular Name: 3-(2-cyclopropyl-2-oxo-ethyl)-1-ethyl-pyrimidine-2,4-dione 3-(2-cyclopropyl-2-oxo-ethyl)-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) -0.45 6.49 -17.25 0 5 0 61 222.244 4 ↓

Analogs

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Popular Name: 3-(2-cyclopropyl-2-oxo-ethyl)-1-methyl-5-nitro-pyrimidine-2,4-dione 3-(2-cyclopropyl-2-oxo-ethyl)-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) -0.62 7.14 -20.99 0 8 0 107 253.214 4 ↓

Analogs

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Popular Name: 3-(2-cyclopropyl-2-oxo-ethyl)-1-ethyl-5-nitro-pyrimidine-2,4-dione 3-(2-cyclopropyl-2-oxo-ethyl)-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) -0.24 8.09 -20.46 0 8 0 107 267.241 5 ↓

Analogs

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Popular Name: 3-(2-cyclopropyl-2-oxo-ethyl)-5-nitro-1-propyl-pyrimidine-2,4-dione 3-(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) 0.26 8.85 -20 0 8 0 107 281.268 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-cyclopropyl-2-oxo-ethyl)-1-propyl-pyrimidine-2,4-dione 3-(2-cyclopropyl-2-oxo-ethyl)-1-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 0.05 7.24 -16.98 0 5 0 61 236.271 5 ↓

Parameters Provided:

ring.id = 248097
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 = 248097 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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