UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-amino-N-(cyclobutylmethyl)-N-methyl-thiophene-2-sulfonamide 4-amino-N-(cyclobutylmethyl)-N-m…

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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) 1.65 2.23 -8.78 2 4 0 63 260.384 4 ↓

Analogs

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Popular Name: 5-[cyclobutylmethyl(methyl)sulfamoyl]-3-methyl-thiophene-2-carboxylic 5-[cyclobutylmethyl(methyl)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) 2.43 5.27 -46.81 0 5 -1 78 302.397 5 ↓

Analogs

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Popular Name: 2-[5-[cyclobutylmethyl(methyl)sulfamoyl]-2-thienyl]acetic 2-[5-[cyclobutylmethyl(methyl)su…

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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) 1.91 5.92 -47.54 0 5 -1 78 302.397 6 ↓

Analogs

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Popular Name: 5-[cyclobutylmethyl(methyl)sulfamoyl]thiophene-3-carboxylic 5-[cyclobutylmethyl(methyl)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) 1.74 4.95 -50.83 0 5 -1 78 288.37 5 ↓

Analogs

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Popular Name: 5-[cyclobutylmethyl(methyl)sulfamoyl]thiophene-2-carboxylic 5-[cyclobutylmethyl(methyl)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) 2.05 5.1 -46.13 0 5 -1 78 288.37 5 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-thiophene-2-sulfonamide 5-(aminomethyl)-N-(cyclobutylmet…

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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) 1.66 2.6 -55.97 3 4 1 65 275.419 5 ↓
Hi High (pH 8-9.5) 1.66 2.2 -9.65 2 4 0 63 274.411 5 ↓

Analogs

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Popular Name: 5-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methyl-thiophene-2-sulfonamide 5-(2-aminoethyl)-N-(cyclobutylme…

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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) 1.47 3.37 -56.69 3 4 1 65 289.446 6 ↓

Analogs

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Popular Name: 5-bromo-N-(cyclobutylmethyl)-N-methyl-thiophene-2-sulfonamide 5-bromo-N-(cyclobutylmethyl)-N-m…

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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) 3.17 5.11 -7.31 0 3 0 37 324.265 4 ↓

Analogs

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Popular Name: 3-bromo-N-(cyclobutylmethyl)-N-methyl-thiophene-2-sulfonamide 3-bromo-N-(cyclobutylmethyl)-N-m…

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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) 2.98 4.96 -11.42 0 3 0 37 324.265 4 ↓

Analogs

45648066
45648066
45648068
45648068

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Popular Name: 5-(aminomethyl)-N-(cyclobutylmethyl)thiophene-2-sulfonamide 5-(aminomethyl)-N-(cyclobutylmet…

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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) 1.42 0.76 -55.99 4 4 1 74 261.392 5 ↓
Hi High (pH 8-9.5) 1.42 0.36 -8.77 3 4 0 72 260.384 5 ↓

Analogs

44518214
44518214
45630019
45630019
45630021
45630021
45700742
45700742

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

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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) 2.19 3.83 -45.87 1 5 -1 86 288.37 5 ↓

Parameters Provided:

ring.id = 217283
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 = 217283 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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