UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12233007
12233007

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Popular Name: N-[2-(1-cyclohexenyl)ethyl]-2-(oxo-phenyl-BLAHyl)acetamide N-[2-(1-cyclohexenyl)ethyl]-2-(o…

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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) 3.40 -1.99 -12.8 1 7 0 82 435.553 6 ↓

Analogs

12233003
12233003

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Popular Name: N-[2-(1-cyclohexenyl)ethyl]-2-(oxo-phenyl-BLAHyl)acetamide N-[2-(1-cyclohexenyl)ethyl]-2-(o…

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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) 3.40 -1.99 -12.85 1 7 0 82 435.553 6 ↓

Analogs

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Popular Name: N-[2-(1-cyclohexenyl)ethyl]-2-(m-tolyl-oxo-BLAHyl)acetamide N-[2-(1-cyclohexenyl)ethyl]-2-(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) 4.03 12.01 -12.83 1 7 0 82 449.58 6 ↓

Analogs

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Popular Name: N-[2-(1-cyclohexenyl)ethyl]-2-(m-tolyl-oxo-BLAHyl)acetamide N-[2-(1-cyclohexenyl)ethyl]-2-(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) 4.03 12.02 -12.78 1 7 0 82 449.58 6 ↓

Analogs

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Popular Name: 2-[(3-chlorophenyl)-oxo-BLAHyl]-N-[2-(1-cyclohexenyl)ethyl]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) 4.26 11.86 -12.11 1 7 0 82 469.998 6 ↓

Analogs

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Popular Name: 2-[(3-chlorophenyl)-oxo-BLAHyl]-N-[2-(1-cyclohexenyl)ethyl]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) 4.26 11.87 -12.2 1 7 0 82 469.998 6 ↓

Analogs

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Popular Name: 2-[(4-chlorophenyl)-oxo-BLAHyl]-N-[2-(1-cyclohexenyl)ethyl]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) 4.08 11.86 -11.02 1 7 0 82 469.998 6 ↓

Analogs

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Popular Name: 2-[(4-chlorophenyl)-oxo-BLAHyl]-N-[2-(1-cyclohexenyl)ethyl]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) 4.08 11.87 -10.94 1 7 0 82 469.998 6 ↓

Analogs

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Popular Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(4-fluorophenyl)-oxo-BLAHyl]acetamide N-[2-(1-cyclohexenyl)ethyl]-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) 3.56 11.41 -11.25 1 7 0 82 453.543 6 ↓

Analogs

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Popular Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(4-fluorophenyl)-oxo-BLAHyl]acetamide N-[2-(1-cyclohexenyl)ethyl]-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) 3.56 11.42 -11.15 1 7 0 82 453.543 6 ↓

Analogs

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Popular Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(3,4-dimethylphenyl)-oxo-BLAHyl]acetamide N-[2-(1-cyclohexenyl)ethyl]-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) 4.43 12.54 -12.9 1 7 0 82 463.607 6 ↓

Analogs

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Popular Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(3,4-dimethylphenyl)-oxo-BLAHyl]acetamide N-[2-(1-cyclohexenyl)ethyl]-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) 4.43 12.55 -12.73 1 7 0 82 463.607 6 ↓

Analogs

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Popular Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(2,4-dimethylphenyl)-oxo-BLAHyl]acetamide N-[2-(1-cyclohexenyl)ethyl]-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) 4.43 13.24 -11.74 1 7 0 82 463.607 6 ↓

Analogs

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Popular Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(2,4-dimethylphenyl)-oxo-BLAHyl]acetamide N-[2-(1-cyclohexenyl)ethyl]-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) 4.43 12.85 -12.51 1 7 0 82 463.607 6 ↓

Analogs

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Popular Name: N-[2-(1-cyclohexenyl)ethyl]-2-[oxo-(p-tolyl)BLAHyl]acetamide N-[2-(1-cyclohexenyl)ethyl]-2-[o…

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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) 3.85 12.02 -12.59 1 7 0 82 449.58 6 ↓

Analogs

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Popular Name: N-[2-(1-cyclohexenyl)ethyl]-2-[oxo-(p-tolyl)BLAHyl]acetamide N-[2-(1-cyclohexenyl)ethyl]-2-[o…

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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) 3.85 12.03 -12.51 1 7 0 82 449.58 6 ↓

Parameters Provided:

ring.id = 97570
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 = 97570 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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