UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12233062
12233062

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Popular Name: N-(2-furylmethyl)-2-(oxo-phenyl-BLAHyl)acetamide N-(2-furylmethyl)-2-(oxo-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) 1.68 -1.45 -13.57 1 8 0 95 407.455 5 ↓

Analogs

12233058
12233058

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Popular Name: N-(2-furylmethyl)-2-(oxo-phenyl-BLAHyl)acetamide N-(2-furylmethyl)-2-(oxo-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) 1.68 -1.45 -14.07 1 8 0 95 407.455 5 ↓

Analogs

12233404
12233404

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Popular Name: 2-[(4-fluorophenyl)-oxo-BLAHyl]-N-(2-furylmethyl)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) 1.84 -0.71 -12.44 1 8 0 95 425.445 5 ↓

Analogs

12233399
12233399

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Popular Name: 2-[(4-fluorophenyl)-oxo-BLAHyl]-N-(2-furylmethyl)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) 1.84 -0.71 -11.95 1 8 0 95 425.445 5 ↓

Analogs

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Popular Name: 2-[(4-chlorophenyl)-oxo-BLAHyl]-N-(2-furylmethyl)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) 2.35 9 -12.2 1 8 0 95 441.9 5 ↓

Analogs

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Popular Name: 2-[(4-chlorophenyl)-oxo-BLAHyl]-N-(2-furylmethyl)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) 2.35 9.01 -11.67 1 8 0 95 441.9 5 ↓

Analogs

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Popular Name: 2-[(3,4-dimethylphenyl)-oxo-BLAHyl]-N-(2-furylmethyl)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) 2.71 9.68 -14.09 1 8 0 95 435.509 5 ↓

Analogs

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Popular Name: 2-[(3,4-dimethylphenyl)-oxo-BLAHyl]-N-(2-furylmethyl)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) 2.71 9.68 -13.55 1 8 0 95 435.509 5 ↓

Analogs

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Popular Name: 2-[(2,4-dimethylphenyl)-oxo-BLAHyl]-N-(2-furylmethyl)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) 2.71 9.96 -13.79 1 8 0 95 435.509 5 ↓

Analogs

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Popular Name: 2-[(2,4-dimethylphenyl)-oxo-BLAHyl]-N-(2-furylmethyl)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) 2.71 10.37 -12.95 1 8 0 95 435.509 5 ↓

Analogs

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

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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) 2.12 9.15 -13.78 1 8 0 95 421.482 5 ↓

Analogs

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

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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) 2.12 9.16 -13.31 1 8 0 95 421.482 5 ↓

Parameters Provided:

ring.id = 97591
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 = 97591 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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