UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

23711247
23711247

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Popular Name: N-(m-tolyl)-2-(2-oxoazepan-1-yl)acetamide N-(m-tolyl)-2-(2-oxoazepan-1-yl)…

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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 6.87 -14.42 1 4 0 49 260.337 3 ↓

Analogs

32876665
32876665

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Popular Name: N-(2,4-dimethylphenyl)-2-(2-oxoazepan-1-yl)acetamide N-(2,4-dimethylphenyl)-2-(2-oxoa…

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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) 3.07 7.77 -13.84 1 4 0 49 274.364 3 ↓

Analogs

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Popular Name: N-(3-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide N-(3-fluorophenyl)-2-(2-oxoazepa…

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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) 2.39 6.27 -17.81 1 4 0 49 264.3 3 ↓

Analogs

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Popular Name: N-(2-methyl-5-nitro-phenyl)-2-(2-oxoazepan-1-yl)acetamide N-(2-methyl-5-nitro-phenyl)-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) 2.58 7.81 -23.07 1 7 0 95 305.334 4 ↓

Analogs

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Popular Name: 2-(2-oxoazepan-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide 2-(2-oxoazepan-1-yl)-N-[4-(trifl…

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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) 3.22 6.05 -13.3 1 5 0 59 330.306 5 ↓

Analogs

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Popular Name: 2-(2-oxoazepan-1-yl)-N-(4-pentylphenyl)acetamide 2-(2-oxoazepan-1-yl)-N-(4-pentyl…

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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) 4.62 9.99 -14.64 1 4 0 49 316.445 7 ↓

Analogs

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Popular Name: 2-(2-oxoazepan-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]acetamide 2-(2-oxoazepan-1-yl)-N-[2-(2,2,2…

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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) 2.98 6.56 -15.46 2 5 0 61 343.349 6 ↓

Analogs

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Popular Name: N-[3-(3-cyanopropoxy)phenyl]-2-(2-oxoazepan-1-yl)acetamide N-[3-(3-cyanopropoxy)phenyl]-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) 2.01 7.75 -25 1 6 0 82 329.4 7 ↓

Analogs

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Popular Name: N-[4-(hydroxymethyl)phenyl]-2-(2-oxoazepan-1-yl)acetamide N-[4-(hydroxymethyl)phenyl]-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) 1.58 3.53 -17.25 2 5 0 70 276.336 4 ↓

Analogs

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Popular Name: N-[2-(hydroxymethyl)phenyl]-2-(2-oxoazepan-1-yl)acetamide N-[2-(hydroxymethyl)phenyl]-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) 1.54 3.83 -16.51 2 5 0 70 276.336 4 ↓

Analogs

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Popular Name: N-(2,3-difluorophenyl)-2-(2-oxoazepan-1-yl)acetamide N-(2,3-difluorophenyl)-2-(2-oxoa…

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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) 2.48 6.37 -12.56 1 4 0 49 282.29 3 ↓

Analogs

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Popular Name: N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-(2-oxoazepan-1-yl)acetamide N-[2-[(1S)-1-hydroxyethyl]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) 1.76 4.61 -15.86 2 5 0 70 290.363 4 ↓

Analogs

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Popular Name: N-[2-[(1R)-1-hydroxyethyl]phenyl]-2-(2-oxoazepan-1-yl)acetamide N-[2-[(1R)-1-hydroxyethyl]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) 1.76 4.66 -16.02 2 5 0 70 290.363 4 ↓

Parameters Provided:

ring.id = 48795
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 = 48795 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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