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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: N-cyclododecyl-2-(oxo-phenyl-BLAHyl)acetamide N-cyclododecyl-2-(oxo-phenyl-BLA…

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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) 5.96 14.07 -12.22 1 7 0 82 493.677 4 ↓

Analogs

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Popular Name: N-cyclododecyl-2-(oxo-phenyl-BLAHyl)acetamide N-cyclododecyl-2-(oxo-phenyl-BLA…

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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) 5.96 14.07 -12.02 1 7 0 82 493.677 4 ↓

Analogs

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Popular Name: N-cyclododecyl-2-(m-tolyl-oxo-BLAHyl)acetamide N-cyclododecyl-2-(m-tolyl-oxo-BL…

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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) 6.59 14.75 -11.94 1 7 0 82 507.704 4 ↓

Analogs

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Popular Name: N-cyclododecyl-2-(m-tolyl-oxo-BLAHyl)acetamide N-cyclododecyl-2-(m-tolyl-oxo-BL…

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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) 6.59 14.74 -12.64 1 7 0 82 507.704 4 ↓

Analogs

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Popular Name: 2-[(3-chlorophenyl)-oxo-BLAHyl]-N-cyclododecyl-acetamide 2-[(3-chlorophenyl)-oxo-BLAHyl]-…

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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) 6.82 14.59 -11.45 1 7 0 82 528.122 4 ↓

Analogs

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Popular Name: 2-[(3-chlorophenyl)-oxo-BLAHyl]-N-cyclododecyl-acetamide 2-[(3-chlorophenyl)-oxo-BLAHyl]-…

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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) 6.82 14.62 -11.78 1 7 0 82 528.122 4 ↓

Analogs

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Popular Name: 2-[(4-chlorophenyl)-oxo-BLAHyl]-N-cyclododecyl-acetamide 2-[(4-chlorophenyl)-oxo-BLAHyl]-…

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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) 6.63 14.59 -10.06 1 7 0 82 528.122 4 ↓

Analogs

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Popular Name: 2-[(4-chlorophenyl)-oxo-BLAHyl]-N-cyclododecyl-acetamide 2-[(4-chlorophenyl)-oxo-BLAHyl]-…

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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) 6.63 14.59 -10.31 1 7 0 82 528.122 4 ↓

Analogs

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Popular Name: N-cyclododecyl-2-[(4-fluorophenyl)-oxo-BLAHyl]acetamide N-cyclododecyl-2-[(4-fluoropheny…

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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) 6.12 14.14 -10.32 1 7 0 82 511.667 4 ↓

Analogs

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Popular Name: N-cyclododecyl-2-[(4-fluorophenyl)-oxo-BLAHyl]acetamide N-cyclododecyl-2-[(4-fluoropheny…

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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) 6.12 14.14 -10.52 1 7 0 82 511.667 4 ↓

Analogs

36669949
36669949
36669951
36669951

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Popular Name: N-cyclododecyl-2-[(3,4-dimethylphenyl)-oxo-BLAHyl]acetamide N-cyclododecyl-2-[(3,4-dimethylp…

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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) 6.99 15.27 -12.05 1 7 0 82 521.731 4 ↓

Analogs

36669949
36669949
36669951
36669951

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Popular Name: N-cyclododecyl-2-[(3,4-dimethylphenyl)-oxo-BLAHyl]acetamide N-cyclododecyl-2-[(3,4-dimethylp…

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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) 6.99 15.27 -12.17 1 7 0 82 521.731 4 ↓

Analogs

36670067
36670067
36670069
36670069

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Popular Name: N-cyclododecyl-2-[(2,4-dimethylphenyl)-oxo-BLAHyl]acetamide N-cyclododecyl-2-[(2,4-dimethylp…

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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) 6.99 15.55 -11.79 1 7 0 82 521.731 4 ↓

Analogs

36670067
36670067
36670069
36670069

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclododecyl-2-[(2,4-dimethylphenyl)-oxo-BLAHyl]acetamide N-cyclododecyl-2-[(2,4-dimethylp…

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Activity (Go SEA)

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) 6.99 15.57 -12 1 7 0 82 521.731 4 ↓

Analogs

36670209
36670209
36670211
36670211

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Popular Name: N-cyclododecyl-2-[oxo-(p-tolyl)BLAHyl]acetamide N-cyclododecyl-2-[oxo-(p-tolyl)B…

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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) 6.40 14.76 -11.77 1 7 0 82 507.704 4 ↓

Analogs

36670209
36670209
36670211
36670211

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclododecyl-2-[oxo-(p-tolyl)BLAHyl]acetamide N-cyclododecyl-2-[oxo-(p-tolyl)B…

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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) 6.40 14.75 -11.94 1 7 0 82 507.704 4 ↓

Parameters Provided:

ring.id = 229344
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 = 229344 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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