UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridyl]-N-phenyl-acetamide 2-[5-(azepan-1-ylsulfonyl)-2-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) 2.13 6.68 -19.15 1 7 0 88 389.477 5 ↓

Analogs

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Popular Name: 2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridyl]-N-(o-tolyl)acetamide 2-[5-(azepan-1-ylsulfonyl)-2-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) 2.53 7.58 -19.47 1 7 0 88 403.504 5 ↓

Analogs

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Popular Name: 2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridyl]-N-(p-tolyl)acetamide 2-[5-(azepan-1-ylsulfonyl)-2-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) 2.58 7.35 -19.11 1 7 0 88 403.504 5 ↓

Analogs

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Popular Name: 2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridyl]-N-(3,4-dimethylphenyl)acetamide 2-[5-(azepan-1-ylsulfonyl)-2-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) 2.95 7.91 -19.2 1 7 0 88 417.531 5 ↓

Analogs

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Popular Name: 2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridyl]-N-(2-ethyl-6-methyl-phenyl)acetamide 2-[5-(azepan-1-ylsulfonyl)-2-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) 2.46 9.18 -18.74 1 7 0 88 431.558 6 ↓

Analogs

6540111
6540111

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Popular Name: 2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridyl]-N-methyl-N-phenyl-acetamide 2-[5-(azepan-1-ylsulfonyl)-2-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) 2.37 8.36 -19.88 0 7 0 80 403.504 5 ↓

Analogs

6540111
6540111

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Popular Name: 2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridyl]-N-ethyl-N-phenyl-acetamide 2-[5-(azepan-1-ylsulfonyl)-2-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) 2.75 9.2 -18.57 0 7 0 80 417.531 6 ↓

Analogs

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Popular Name: 2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridyl]-N-(2,4-dimethylphenyl)acetamide 2-[5-(azepan-1-ylsulfonyl)-2-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) 2.95 8.24 -19.51 1 7 0 88 417.531 5 ↓

Analogs

6540188
6540188
6540305
6540305

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Popular Name: 2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridyl]-N-(2-methoxyphenyl)acetamide 2-[5-(azepan-1-ylsulfonyl)-2-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) 2.14 6.12 -19.01 1 8 0 98 419.503 6 ↓

Analogs

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Popular Name: 2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridyl]-N-methyl-N-(m-tolyl)acetamide 2-[5-(azepan-1-ylsulfonyl)-2-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) 2.80 9.03 -19.75 0 7 0 80 417.531 5 ↓

Analogs

6540111
6540111

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Popular Name: 2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridyl]-N-(4-dimethylaminophenyl)acetamide 2-[5-(azepan-1-ylsulfonyl)-2-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) 2.23 7.1 -19.99 1 8 0 92 432.546 6 ↓

Analogs

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Popular Name: 2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridyl]-N-(2-fluorophenyl)acetamide 2-[5-(azepan-1-ylsulfonyl)-2-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) 2.25 6.8 -18.28 1 7 0 88 407.467 5 ↓

Analogs

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Popular Name: 2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridyl]-N-(3-fluorophenyl)acetamide 2-[5-(azepan-1-ylsulfonyl)-2-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) 2.27 6.75 -18.97 1 7 0 88 407.467 5 ↓

Analogs

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Popular Name: 2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridyl]-N-(3-fluoro-4-methyl-phenyl)acetamide 2-[5-(azepan-1-ylsulfonyl)-2-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) 2.67 7.39 -19.05 1 7 0 88 421.494 5 ↓

Analogs

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Popular Name: 2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridyl]-N-(4-fluoro-2-methyl-phenyl)acetamide 2-[5-(azepan-1-ylsulfonyl)-2-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) 2.67 7.65 -19.76 1 7 0 88 421.494 5 ↓

Parameters Provided:

ring.id = 564741
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 = 564741 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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