UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(4-methyl-2-pyridyl)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carboxamide N-(4-methyl-2-pyridyl)-5-oxo-2,3…

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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 5.24 -14.66 1 6 0 77 288.332 2 ↓

Analogs

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Popular Name: N-(3-methyl-2-pyridyl)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carboxamide N-(3-methyl-2-pyridyl)-5-oxo-2,3…

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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 5.99 -17.17 1 6 0 77 288.332 2 ↓

Analogs

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Popular Name: N-(6-methyl-2-pyridyl)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carboxamide N-(6-methyl-2-pyridyl)-5-oxo-2,3…

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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) 0.33 5.2 -14.77 1 6 0 77 288.332 2 ↓

Analogs

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Popular Name: N-(6-bromo-2-pyridyl)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carboxamide N-(6-bromo-2-pyridyl)-5-oxo-2,3-…

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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) 1.43 5.08 -13.41 1 6 0 77 353.201 2 ↓
Hi High (pH 8-9.5) 1.50 5.29 -61.67 0 6 -1 83 352.193 2 ↓

Parameters Provided:

ring.id = 539629
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 = 539629 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=539629&filter.purchasability=annotated

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