UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9646681
9646681

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

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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) 2.02 2.31 -55.16 3 4 1 65 275.419 4 ↓
Hi High (pH 8-9.5) 2.02 1.92 -8.26 2 4 0 63 274.411 4 ↓

Analogs

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Popular Name: methyl 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) 2.67 4.95 -8.79 0 5 0 64 303.405 5 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 3.46 4.73 -9.66 1 5 0 72 337.85 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.88 4.94 -11.24 1 5 0 72 317.432 6 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.66 4.11 -11.45 1 5 0 72 303.405 6 ↓

Analogs

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Popular Name: methyl 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) 3.08 4.26 -11.24 1 5 0 72 317.432 6 ↓

Analogs

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Popular Name: 5-ethyl-N-(1-methylcyclopentyl)thiophene-2-sulfonamide 5-ethyl-N-(1-methylcyclopentyl)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) 3.59 4.42 -7.94 1 3 0 46 273.423 4 ↓

Analogs

42176263
42176263

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Popular Name: N-(1-methylcyclopentyl)thiophene-2-sulfonamide N-(1-methylcyclopentyl)thiophene…

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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) 2.80 2.78 -8.33 1 3 0 46 245.369 3 ↓

Analogs

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Popular Name: 5-chloro-N-(1-methylcyclopentyl)thiophene-2-sulfonamide 5-chloro-N-(1-methylcyclopentyl)…

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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) 3.60 3.41 -6.48 1 3 0 46 279.814 3 ↓

Analogs

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Popular Name: 5-(cyclopentylsulfamoyl)-3-methyl-thiophene-2-carboxylic 5-(cyclopentylsulfamoyl)-3-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) 2.54 3.78 -45.93 1 5 -1 86 288.37 4 ↓

Analogs

37836557
37836557
37836558
37836558
37836933
37836933
37837828
37837828
37838728
37838728

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

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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) 2.79 5.4 -45.94 0 5 -1 78 302.397 4 ↓

Analogs

35038064
35038064
35038062
35038062
13269904
13269904
13269905
13269905

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Popular Name: 5-[(2-amino-2-oxo-ethyl)-cyclopentyl-sulfamoyl]thiophene-3-carboxylic 5-[(2-amino-2-oxo-ethyl)-cyclope…

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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) 0.83 1.66 -58.28 2 7 -1 121 331.395 6 ↓

Analogs

35765775
35765775
37022492
37022492
21514156
21514156
13307049
13307049

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Popular Name: 2-[5-[allyl(cyclopentyl)sulfamoyl]-2-thienyl]acetic 2-[5-[allyl(cyclopentyl)sulfamoy…

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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) 2.91 6.89 -47.19 0 5 -1 78 328.435 7 ↓

Analogs

35765773
35765773
37022496
37022496
20545331
20545331
20545332
20545332

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Popular Name: 5-[allyl(cyclopentyl)sulfamoyl]thiophene-3-carboxylic 5-[allyl(cyclopentyl)sulfamoyl]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) 2.74 5.92 -51.05 0 5 -1 78 314.408 6 ↓

Analogs

35765740
35765740
37239076
37239076
37238787
37238787
37238791
37238791
37238539
37238539

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

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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) 3.43 6.64 -46.03 0 5 -1 78 328.435 6 ↓

Analogs

36133306
36133306
36133305
36133305
35765740
35765740
37239076
37239076
37238791
37238791

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Popular Name: 5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-3-methyl-thiophene-2-carboxylic 5-[cyclopentyl(2-hydroxyethyl)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) 2.15 3.33 -46.41 1 6 -1 98 332.423 6 ↓

Analogs

36133356
36133356
36133357
36133357
35765775
35765775
37022492
37022492
21025877
21025877

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Popular Name: 2-[5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-2-thienyl]acetic 2-[5-[cyclopentyl(2-hydroxyethyl…

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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) 1.63 3.6 -47.4 1 6 -1 98 332.423 7 ↓

Analogs

36133367
36133367
36133365
36133365
35765773
35765773
37022496
37022496
13307058
13307058

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Popular Name: 5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]thiophene-3-carboxylic 5-[cyclopentyl(2-hydroxyethyl)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) 1.47 2.62 -52.66 1 6 -1 98 318.396 6 ↓

Parameters Provided:

ring.id = 144811
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 = 144811 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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