UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[(2,5-dichlorophenoxy)methyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-carboxylic 4-[(2,5-dichlorophenoxy)methyl]-…

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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) 4.72 8.05 -43.25 1 5 -1 82 383.232 4 ↓

Analogs

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Popular Name: 4-[[4-(diethylsulfamoyl)-2-nitro-phenoxy]methyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-carboxyli 4-[[4-(diethylsulfamoyl)-2-nitro…

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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) 3.39 8.04 -51.74 1 11 -1 165 494.527 9 ↓

Analogs

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Popular Name: 3-methyl-4-[(2-nitrophenoxy)methyl]-6-oxo-7H-thieno[5,4-b]pyridine-2-carboxylic 3-methyl-4-[(2-nitrophenoxy)meth…

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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 8.33 -50.31 1 8 -1 128 359.339 5 ↓

Analogs

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Popular Name: 4-[(2,4-dichlorophenoxy)methyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-carboxylic 4-[(2,4-dichlorophenoxy)methyl]-…

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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) 4.72 8.04 -42.8 1 5 -1 82 383.232 4 ↓

Analogs

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Popular Name: 4-[[3,5-bis(trifluoromethyl)phenoxy]methyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-carboxylic 4-[[3,5-bis(trifluoromethyl)phen…

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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) 5.16 9 -42.67 1 5 -1 82 450.336 6 ↓

Analogs

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Popular Name: 3-methyl-6-oxo-4-[(2,4,5-trichlorophenoxy)methyl]-7H-thieno[5,4-b]pyridine-2-carboxylic 3-methyl-6-oxo-4-[(2,4,5-trichlo…

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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) 5.33 8.5 -42.17 1 5 -1 82 417.677 4 ↓

Analogs

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Popular Name: 4-[(5-fluoro-2-nitro-phenoxy)methyl]-3-methyl-6-oxo-7H-thieno[5,4-b]pyridine-2-carboxylic 4-[(5-fluoro-2-nitro-phenoxy)met…

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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) 3.49 8.4 -47.62 1 8 -1 128 377.329 5 ↓

Parameters Provided:

ring.id = 117709
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 = 117709 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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