UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2,5-dimethyl-N-[[(1S,2R)-2-methylcyclopropyl]methyl]thiophene-3-sulfonamide 2,5-dimethyl-N-[[(1S,2R)-2-methy…

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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 4.49 -10.19 1 3 0 46 259.396 4 ↓

Analogs

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Popular Name: 2,5-dimethyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]thiophene-3-sulfonamide 2,5-dimethyl-N-[[(1S,2S)-2-methy…

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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 4.56 -10.19 1 3 0 46 259.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dimethyl-N-[[(1R,2R)-2-methylcyclopropyl]methyl]thiophene-3-sulfonamide 2,5-dimethyl-N-[[(1R,2R)-2-methy…

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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 4.52 -10.34 1 3 0 46 259.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dimethyl-N-[[(1R,2S)-2-methylcyclopropyl]methyl]thiophene-3-sulfonamide 2,5-dimethyl-N-[[(1R,2S)-2-methy…

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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 4.46 -10.64 1 3 0 46 259.396 4 ↓

Analogs

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Popular Name: 5-bromo-4-[cyclopropylmethyl(ethyl)sulfamoyl]thiophene-2-carboxylic 5-bromo-4-[cyclopropylmethyl(eth…

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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) 2.83 5.66 -46.93 0 5 -1 78 367.266 6 ↓

Analogs

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Popular Name: 3-[cyclopropylmethyl(ethyl)sulfamoyl]thiophene-2-carboxylic 3-[cyclopropylmethyl(ethyl)sulfa…

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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) 1.90 6.07 -62.54 0 5 -1 78 288.37 6 ↓

Analogs

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Popular Name: 4-[cyclopropylmethyl(ethyl)sulfamoyl]-5-methyl-thiophene-2-carboxylic 4-[cyclopropylmethyl(ethyl)sulfa…

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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 6 -55.6 0 5 -1 78 302.397 6 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-2,5-dimethyl-thiophene-3-sulfonamide N-[(1S)-1-cyclopropylethyl]-2,5-…

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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) 2.24 4.2 -8.59 1 3 0 46 259.396 4 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopropylethyl]-2,5-dimethyl-thiophene-3-sulfonamide N-[(1R)-1-cyclopropylethyl]-2,5-…

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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) 2.24 4.23 -8.85 1 3 0 46 259.396 4 ↓

Analogs

36133327
36133327
36133328
36133328

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Popular Name: 3-[[(1S)-1-cyclopropylethyl]-(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic 3-[[(1S)-1-cyclopropylethyl]-(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) 1.83 6.14 -50.55 0 6 -1 87 332.423 8 ↓

Analogs

36133327
36133327
36133328
36133328

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R)-1-cyclopropylethyl]-(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic 3-[[(1R)-1-cyclopropylethyl]-(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) 1.83 6.01 -50.38 0 6 -1 87 332.423 8 ↓

Analogs

37172848
37172848
37172849
37172849
36199268
36199268
36983948
36983948
36198899
36198899

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Popular Name: 5-bromo-4-[cyclopropylmethyl(methyl)sulfamoyl]thiophene-2-carboxylic 5-bromo-4-[cyclopropylmethyl(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) 2.45 5.04 -47.02 0 5 -1 78 353.239 5 ↓

Parameters Provided:

ring.id = 12443
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 = 12443 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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