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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: [2-[[2-(isobutylcarbamoyl)phenyl]amino]-2-oxo-ethyl] [2-[[2-(isobutylcarbamoyl)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) 3.88 10.17 -12.67 2 7 0 94 442.899 8 ↓

Analogs

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Popular Name: [2-(cyanomethyl-phenyl-amino)-2-oxo-ethyl] [2-(cyanomethyl-phenyl-amino)-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) 3.64 11.54 -16.77 0 6 0 80 382.803 6 ↓

Analogs

8518112
8518112
8518117
8518117

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Popular Name: [2-[(2-methylsulfonylphenyl)amino]-2-oxo-ethyl] [2-[(2-methylsulfonylphenyl)amin…

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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) 2.87 7.22 -14.97 1 7 0 99 421.858 6 ↓

Analogs

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Popular Name: [(1R)-1-methyl-2-oxo-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] [(1R)-1-methyl-2-oxo-2-[[2-(trif…

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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) 4.82 11 -9.19 1 5 0 65 425.79 6 ↓

Analogs

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Popular Name: [(1S)-1-methyl-2-oxo-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] [(1S)-1-methyl-2-oxo-2-[[2-(trif…

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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) 4.82 11.03 -8.74 1 5 0 65 425.79 6 ↓

Analogs

8518112
8518112
8518117
8518117

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Popular Name: [(1R)-2-[(4-bromo-2-fluoro-phenyl)amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[(4-bromo-2-fluoro-pheny…

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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) 4.88 10.44 -8.22 1 5 0 65 454.679 5 ↓

Analogs

8518112
8518112
8518117
8518117

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-[(4-bromo-2-fluoro-phenyl)amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[(4-bromo-2-fluoro-pheny…

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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) 4.88 10.46 -7.82 1 5 0 65 454.679 5 ↓

Analogs

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Popular Name: [(1R)-2-[(4-chloro-2-methoxy-5-methyl-phenyl)amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[(4-chloro-2-methoxy-5-m…

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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) 5.01 10.22 -9.73 1 6 0 74 436.291 6 ↓

Analogs

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Popular Name: [(1S)-2-[(4-chloro-2-methoxy-5-methyl-phenyl)amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[(4-chloro-2-methoxy-5-m…

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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) 5.01 10.26 -9.38 1 6 0 74 436.291 6 ↓

Analogs

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Popular Name: [(1R)-2-[[2-(difluoromethoxy)phenyl]amino]-1-methyl-2-oxo-ethyl] [(1R)-2-[[2-(difluoromethoxy)phe…

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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) 4.54 9.4 -11.92 1 6 0 74 423.799 7 ↓

Analogs

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Popular Name: [(1S)-2-[[2-(difluoromethoxy)phenyl]amino]-1-methyl-2-oxo-ethyl] [(1S)-2-[[2-(difluoromethoxy)phe…

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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) 4.54 9.43 -11.63 1 6 0 74 423.799 7 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 209636 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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