UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14234316
14234316

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Popular Name: N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(5,6-dimethylthieno[3,2-e]pyrimidin-4-yl)sulfanyl-acetamide N-[(1R)-1-(3,4-difluorophenyl)et…

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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) 3.94 9.38 -12.47 1 4 0 55 393.484 5 ↓

Analogs

14234313
14234313

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Popular Name: N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-(5,6-dimethylthieno[3,2-e]pyrimidin-4-yl)sulfanyl-acetamide N-[(1S)-1-(3,4-difluorophenyl)et…

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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) 3.94 9.39 -13.67 1 4 0 55 393.484 5 ↓

Analogs

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Popular Name: N-[(3-methoxyphenyl)methyl]-2-thieno[3,2-e]pyrimidin-4-ylsulfanyl-acetamide N-[(3-methoxyphenyl)methyl]-2-th…

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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) 2.56 6.62 -11.81 1 5 0 64 345.449 6 ↓

Analogs

4799312
4799312

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Popular Name: 2-[(7-ethyl-3,8-dimethyl-9-thia-2,4-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-yl)sulfanyl]-N-[(4-met 2-[(7-ethyl-3,8-dimethyl-9-thia-…

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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) 3.73 -2.44 -11.96 1 5 0 64 401.557 7 ↓

Parameters Provided:

ring.id = 113681
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 = 113681 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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