UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(azocan-1-yl)-N-(2-chloro-4-methoxy-phenyl)-2-oxo-acetamide 2-(azocan-1-yl)-N-(2-chloro-4-me…

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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) 3.05 6.61 -6.05 1 5 0 59 324.808 3 ↓

Analogs

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Popular Name: 4-[[2-(azocan-1-yl)-2-oxo-acetyl]amino]-N-[(1R)-1-methylpropyl]benzamide 4-[[2-(azocan-1-yl)-2-oxo-acetyl…

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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 7.6 -10.14 2 6 0 79 359.47 5 ↓

Analogs

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Popular Name: 4-[[2-(azocan-1-yl)-2-oxo-acetyl]amino]-N-[(1S)-1-methylpropyl]benzamide 4-[[2-(azocan-1-yl)-2-oxo-acetyl…

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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 7.6 -10.11 2 6 0 79 359.47 5 ↓

Analogs

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Popular Name: 2-(azocan-1-yl)-N-(5-cyano-2-isopropoxy-phenyl)-2-oxo-acetamide 2-(azocan-1-yl)-N-(5-cyano-2-iso…

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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) 2.86 8.12 -8.79 1 6 0 82 343.427 4 ↓

Analogs

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Popular Name: 2-(azocan-1-yl)-N-(2-bromo-4,5-dimethoxy-phenyl)-2-oxo-acetamide 2-(azocan-1-yl)-N-(2-bromo-4,5-d…

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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) 2.77 6.66 -7.47 1 6 0 68 399.285 4 ↓

Analogs

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Popular Name: 2-(azocan-1-yl)-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-oxo-acetamide 2-(azocan-1-yl)-N-[3-chloro-2-(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) 2.91 6.98 -7.35 1 6 0 68 368.861 6 ↓

Parameters Provided:

ring.id = 24354
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 = 24354 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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