UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37994496
37994496

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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) 0.64 1.61 -12.86 1 6 0 84 305.377 7 ↓

Analogs

42453340
42453340

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-2,5-dimethyl-thiophene-3-sulfonamide N-cyclopropyl-N-(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) 1.01 2.26 -10.3 1 4 0 58 275.395 5 ↓

Analogs

42453341
42453341

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Popular Name: 2,5-dibromo-N-cyclopropyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide 2,5-dibromo-N-cyclopropyl-N-(2-h…

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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) 2.44 1.91 -6.5 1 4 0 58 405.133 5 ↓

Analogs

37837442
37837442
37994506
37994506
44618109
44618109
44618112
44618112

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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) 1.58 1.91 -10.41 1 6 0 84 384.273 7 ↓

Analogs

42453355
42453355

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Popular Name: 2,5-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide 2,5-dichloro-N-cyclopropyl-N-(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) 2.18 1.76 -6.54 1 4 0 58 316.231 5 ↓

Analogs

37836759
37836759
37836855
37836855
37837186
37837186
37837456
37837456
37838784
37838784

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Popular Name: 3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]thiophene-2-carboxylic 3-[cyclopropyl(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) 0.38 1.58 -48.48 1 6 -1 98 290.342 6 ↓

Analogs

37836762
37836762
37836858
37836858
37837442
37837442
37838766
37838766
42763477
42763477

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Popular Name: 5-bromo-4-[cyclopropyl(2-hydroxyethyl)sulfamoyl]thiophene-2-carboxylic 5-bromo-4-[cyclopropyl(2-hydroxy…

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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) 1.32 1.86 -46.94 1 6 -1 98 369.238 6 ↓

Analogs

37837442
37837442
37837845
37837845
42763477
42763477

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

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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) 2.32 4.82 -47.08 0 5 -1 78 353.239 5 ↓

Analogs

37837845
37837845
42763477
42763477
30359717
30359717

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Popular Name: 5-bromo-4-[cyclopropyl(methyl)sulfamoyl]thiophene-2-carboxylic 5-bromo-4-[cyclopropyl(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) 1.95 4.05 -47.15 0 5 -1 78 339.212 4 ↓

Analogs

37837442
37837442
37837845
37837845
42763477
42763477

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Popular Name: 5-bromo-4-[cyclopropyl(propyl)sulfamoyl]thiophene-2-carboxylic 5-bromo-4-[cyclopropyl(propyl)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) 2.83 5.58 -47.27 0 5 -1 78 367.266 6 ↓

Analogs

37370959
37370959
37370961
37370961
37370963
37370963
37836965
37836965
37837456
37837456

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Popular Name: 3-[cyclopropyl(propyl)sulfamoyl]thiophene-2-carboxylic 3-[cyclopropyl(propyl)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) 1.89 5.28 -46.37 0 5 -1 78 288.37 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 1.26 4.14 -11.67 0 6 0 73 319.404 8 ↓

Analogs

36785292
36785292
36785293
36785293
36199268
36199268
37504987
37504987
37504988
37504988

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Popular Name: 5-bromo-4-[cyclopropyl(isopentyl)sulfamoyl]thiophene-2-carboxylic 5-bromo-4-[cyclopropyl(isopentyl…

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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 6.87 -48.25 0 5 -1 78 395.32 7 ↓

Analogs

36133756
36133756
36130998
36130998
37466166
37466166
36325813
36325813
36325815
36325815

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Popular Name: 5-bromo-4-[cyclopropyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic 5-bromo-4-[cyclopropyl(2-methoxy…

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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) 1.93 4.36 -47.16 0 6 -1 87 383.265 7 ↓

Analogs

36133747
36133747
36325776
36325776
36325775
36325775
37417009
37417009
35237183
35237183

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Popular Name: 3-[cyclopropyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic 3-[cyclopropyl(2-methoxyethyl)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) 1.00 4.1 -45.77 0 6 -1 87 304.369 7 ↓

Analogs

49608181
49608181
37326356
37326356

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Popular Name: 3-[cyclopropyl-(2-ethoxy-2-oxo-ethyl)sulfamoyl]thiophene-2-carboxylic 3-[cyclopropyl-(2-ethoxy-2-oxo-e…

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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) 1.25 5.59 -51.52 0 7 -1 104 332.379 8 ↓

Parameters Provided:

ring.id = 63864
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 = 63864 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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