UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(5-methyl-2-pyridyl)-5-nitro-thiophene-2-sulfonamide N-(5-methyl-2-pyridyl)-5-nitro-t…

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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) 2.46 4.8 -13.33 1 7 0 108 299.333 3 ↓
Mid Mid (pH 6-8) 2.29 4.31 -40.45 0 7 -1 107 298.325 4 ↓

Analogs

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Popular Name: 3-methyl-5-(2-pyridylsulfamoyl)thiophene-2-carboxylic 3-methyl-5-(2-pyridylsulfamoyl)t…

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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 4.48 -57.46 1 6 -1 102 297.337 3 ↓
Mid Mid (pH 6-8) 1.94 4.01 -99.71 0 6 -2 101 296.329 4 ↓

Analogs

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Popular Name: 3-methyl-5-[(6-methyl-2-pyridyl)sulfamoyl]thiophene-2-carboxylic 3-methyl-5-[(6-methyl-2-pyridyl)…

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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) 2.17 5.05 -57.08 1 6 -1 102 311.364 3 ↓
Mid Mid (pH 6-8) 1.99 4.6 -101.47 0 6 -2 101 310.356 4 ↓

Analogs

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Popular Name: 3-methyl-5-[(5-methyl-2-pyridyl)sulfamoyl]thiophene-2-carboxylic 3-methyl-5-[(5-methyl-2-pyridyl)…

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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) 2.57 5.12 -55.85 1 6 -1 102 311.364 3 ↓
Mid Mid (pH 6-8) 2.39 4.64 -100.5 0 6 -2 101 310.356 4 ↓

Analogs

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Popular Name: 3-methyl-5-[(3-methyl-2-pyridyl)sulfamoyl]thiophene-2-carboxylic 3-methyl-5-[(3-methyl-2-pyridyl)…

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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) 2.52 5.23 -57.47 1 6 -1 102 311.364 3 ↓
Mid Mid (pH 6-8) 2.34 4.75 -100.04 0 6 -2 101 310.356 4 ↓

Analogs

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Popular Name: 3-methyl-5-[(4-methyl-2-pyridyl)sulfamoyl]thiophene-2-carboxylic 3-methyl-5-[(4-methyl-2-pyridyl)…

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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) 2.52 5.15 -56.89 1 6 -1 102 311.364 3 ↓
Mid Mid (pH 6-8) 2.34 4.68 -100.95 0 6 -2 101 310.356 4 ↓

Parameters Provided:

ring.id = 72500
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 = 72500 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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