UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12233067
12233067

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Popular Name: 2-(oxo-phenyl-BLAHyl)-N-(2-thienylmethyl)acetamide 2-(oxo-phenyl-BLAHyl)-N-(2-thien…

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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) 2.32 -2.77 -12.65 1 7 0 82 423.523 5 ↓

Analogs

12233064
12233064

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Popular Name: 2-(oxo-phenyl-BLAHyl)-N-(2-thienylmethyl)acetamide 2-(oxo-phenyl-BLAHyl)-N-(2-thien…

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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) 2.32 -2.78 -13.11 1 7 0 82 423.523 5 ↓

Analogs

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Popular Name: 2-[(3-chlorophenyl)-oxo-BLAHyl]-N-(2-thienylmethyl)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) 3.18 10.01 -12.87 1 7 0 82 457.968 5 ↓

Analogs

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Popular Name: 2-[(3-chlorophenyl)-oxo-BLAHyl]-N-(2-thienylmethyl)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) 3.18 9.98 -12.09 1 7 0 82 457.968 5 ↓

Analogs

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Popular Name: 2-[(4-chlorophenyl)-oxo-BLAHyl]-N-(2-thienylmethyl)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) 3.00 9.99 -11.23 1 7 0 82 457.968 5 ↓

Analogs

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Popular Name: 2-[(4-chlorophenyl)-oxo-BLAHyl]-N-(2-thienylmethyl)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) 3.00 10 -10.81 1 7 0 82 457.968 5 ↓

Analogs

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Popular Name: 2-[(4-fluorophenyl)-oxo-BLAHyl]-N-(2-thienylmethyl)acetamide 2-[(4-fluorophenyl)-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) 2.48 9.54 -11.42 1 7 0 82 441.513 5 ↓

Analogs

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Popular Name: 2-[(4-fluorophenyl)-oxo-BLAHyl]-N-(2-thienylmethyl)acetamide 2-[(4-fluorophenyl)-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) 2.48 9.54 -11.05 1 7 0 82 441.513 5 ↓

Analogs

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

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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) 3.35 10.7 -13.61 1 7 0 82 451.577 5 ↓

Analogs

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

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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) 3.35 10.68 -12.67 1 7 0 82 451.577 5 ↓

Analogs

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

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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) 3.35 10.93 -12.78 1 7 0 82 451.577 5 ↓

Analogs

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

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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) 3.35 10.96 -12.06 1 7 0 82 451.577 5 ↓

Analogs

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

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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) 2.77 10.14 -12.82 1 7 0 82 437.55 5 ↓

Analogs

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

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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) 2.77 10.15 -12.34 1 7 0 82 437.55 5 ↓

Parameters Provided:

ring.id = 97593
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 = 97593 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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