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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(4-methylcyclohexyl)-2-[(4-oxo-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide N-(4-methylcyclohexyl)-2-[(4-oxo…

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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) 3.52 7.15 -47.22 1 7 -1 96 396.496 5 ↓
Mid Mid (pH 6-8) 3.07 9.08 -14.64 2 7 0 93 397.504 5 ↓

Analogs

9703976
9703976

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Popular Name: N-cyclohexyl-N-ethyl-2-[(4-oxo-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide N-cyclohexyl-N-ethyl-2-[(4-oxo-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) 4.37 8.94 -47.82 0 7 -1 87 410.523 6 ↓
Mid Mid (pH 6-8) 3.92 10.88 -14.45 1 7 0 84 411.531 6 ↓

Analogs

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Popular Name: N-(1-cyanocyclohexyl)-N-methyl-2-[(4-oxo-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamid N-(1-cyanocyclohexyl)-N-methyl-2…

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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) 3.85 7.62 -52.69 0 8 -1 111 421.506 5 ↓
Lo Low (pH 4.5-6) 3.40 9.01 -21.63 1 8 0 108 422.514 5 ↓

Parameters Provided:

ring.id = 167130
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 = 167130 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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