UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-isopropyl-2-(oxoBLAHyl)-N-phenyl-acetamide N-isopropyl-2-(oxoBLAHyl)-N-phen…

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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) 3.20 2.06 -25.39 0 6 0 68 361.401 4 ↓

Analogs

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Popular Name: N-(2-fluoro-5-nitro-phenyl)-2-(oxoBLAHyl)-acetamide N-(2-fluoro-5-nitro-phenyl)-2-(o…

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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) 2.33 9.01 -29.46 1 9 0 123 382.307 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.83 9.72 -35.63 1 8 0 103 391.383 5 ↓

Analogs

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Popular Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(oxoBLAHyl)-acetamide N-[2-(cyanomethylsulfanyl)phenyl…

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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) 2.45 1.3 -29.54 1 7 0 100 390.424 5 ↓

Analogs

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Popular Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-(4-oxobenzofurano[3,2-d]pyrimidin-3-yl)acetamide N-(5-chloro-2,4-dimethoxy-phenyl…

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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) 2.93 7.51 -30.28 1 8 0 96 413.817 5 ↓

Analogs

5797256
5797256
5797259
5797259
5797303
5797303
5797308
5797308
5797310
5797310

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Popular Name: N-(3,4-dichlorophenyl)-2-(oxoBLAHyl)-acetamide N-(3,4-dichlorophenyl)-2-(oxoBLA…

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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) 3.56 0.02 -29.08 1 6 0 77 388.21 3 ↓

Analogs

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Popular Name: N-(3-nitrophenyl)-2-(oxoBLAHyl)-acetamide N-(3-nitrophenyl)-2-(oxoBLAHyl)-…

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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) 2.22 0.81 -28.31 1 9 0 122 364.317 4 ↓

Parameters Provided:

ring.id = 2013
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 = 2013 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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