UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2781887
2781887
6400043
6400043
2779058
2779058
373301
373301
2780167
2780167

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Popular Name: 1-ethyl-N-(4-keto-2-methyl-6-propyl-thieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide 1-ethyl-N-(4-keto-2-methyl-6-pro…

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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) 2.05 -0.94 -19.38 1 7 0 81 345.428 5 ↓

Analogs

2782758
2782758
2777700
2777700
2780696
2780696
2780801
2780801

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Popular Name: 4-bromo-1-ethyl-N-(4-keto-2-methyl-6-propyl-thieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide 4-bromo-1-ethyl-N-(4-keto-2-meth…

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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) 2.79 8.43 -19.24 1 7 0 82 424.324 5 ↓

Analogs

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Popular Name: 1-ethyl-N-(4-keto-2-methyl-6-propyl-thieno[2,3-d]pyrimidin-3-yl)-4-nitro-pyrazole-3-carboxamide 1-ethyl-N-(4-keto-2-methyl-6-pro…

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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) 1.94 9.43 -26.1 1 10 0 128 390.425 6 ↓

Analogs

2781038
2781038
2779572
2779572
2781934
2781934

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Popular Name: 4-chloro-1-ethyl-N-(4-keto-2-methyl-6-propyl-thieno[2,3-d]pyrimidin-3-yl)pyrazole-3-carboxamide 4-chloro-1-ethyl-N-(4-keto-2-met…

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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) 2.66 -1.08 -19.7 1 7 0 81 379.873 5 ↓

Parameters Provided:

ring.id = 233879
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 = 233879 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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