UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(1-methyl-4-piperidyl)thiophene-2-sulfonamide N-(1-methyl-4-piperidyl)thiophen…

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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) 1.37 2.8 -44.39 2 4 1 51 261.392 3 ↓
Hi High (pH 8-9.5) 1.37 0.41 -8.87 1 4 0 49 260.384 3 ↓

Analogs

14096832
14096832

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Popular Name: 5-bromo-N-(1-methyl-4-piperidyl)thiophene-2-sulfonamide 5-bromo-N-(1-methyl-4-piperidyl)…

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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) 2.31 3.54 -43.45 2 4 1 51 340.288 3 ↓

Analogs

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Popular Name: N-(1-propyl-4-piperidyl)thiophene-2-sulfonamide N-(1-propyl-4-piperidyl)thiophen…

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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) 2.25 4.21 -44.07 2 4 1 51 289.446 5 ↓

Analogs

14096832
14096832

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Popular Name: 5-bromo-N-(1-propyl-4-piperidyl)thiophene-2-sulfonamide 5-bromo-N-(1-propyl-4-piperidyl)…

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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) 3.19 4.98 -43.09 2 4 1 51 368.342 5 ↓

Analogs

14096832
14096832

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Popular Name: 5-bromo-N-(1-isopropyl-4-piperidyl)thiophene-2-sulfonamide 5-bromo-N-(1-isopropyl-4-piperid…

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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 4.74 -40.93 2 4 1 51 368.342 4 ↓

Analogs

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Popular Name: N-(1-butyl-4-piperidyl)-5-nitro-thiophene-2-sulfonamide N-(1-butyl-4-piperidyl)-5-nitro-…

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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) 2.89 5.94 -47.76 2 7 1 96 348.47 7 ↓
Hi High (pH 8-9.5) 2.89 5.82 -38.37 1 7 0 99 347.462 7 ↓

Analogs

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Popular Name: N-[1-(2-ethylbutanoyl)-4-piperidyl]-5-nitro-thiophene-2-sulfonamide N-[1-(2-ethylbutanoyl)-4-piperid…

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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) 2.90 5.04 -16.28 1 8 0 112 389.499 7 ↓

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) 1.22 1.64 -13.39 1 6 0 76 304.393 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) 2.03 2.26 -11.94 1 6 0 76 338.838 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) 1.44 2.47 -13.15 1 6 0 76 318.42 4 ↓

Analogs

44694597
44694597
44694599
44694599

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Popular Name: 3-methyl-5-[methyl-(1-methyl-4-piperidyl)sulfamoyl]thiophene-2-carboxylic 3-methyl-5-[methyl-(1-methyl-4-p…

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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) 1.81 5.84 -73.85 1 6 0 82 332.447 4 ↓

Analogs

37986145
37986145
44694618
44694618
44694620
44694620

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Popular Name: 2-[5-[(1-methyl-4-piperidyl)sulfamoyl]-2-thienyl]acetic 2-[5-[(1-methyl-4-piperidyl)sulf…

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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) 1.04 4.35 -71.28 2 6 0 91 318.42 5 ↓
Hi High (pH 8-9.5) 1.04 1.95 -46.85 1 6 -1 90 317.412 5 ↓

Analogs

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Popular Name: 4-amino-N-(1-propyl-4-piperidyl)thiophene-2-sulfonamide 4-amino-N-(1-propyl-4-piperidyl)…

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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 2.05 -43.65 4 5 1 77 304.461 5 ↓
Lo Low (pH 4.5-6) 1.66 1.9 -106.1 5 5 2 78 305.469 5 ↓

Analogs

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Popular Name: 5-[(1-propyl-4-piperidyl)sulfamoyl]thiophene-2-carboxylic 5-[(1-propyl-4-piperidyl)sulfamo…

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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) 2.06 4.92 -65.92 2 6 0 91 332.447 6 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-(1-propyl-4-piperidyl)thiophene-2-sulfonamide 5-(aminomethyl)-N-(1-propyl-4-pi…

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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) 1.68 2.43 -106.86 5 5 2 78 319.496 6 ↓
Hi High (pH 8-9.5) 1.68 2.04 -44.4 4 5 1 77 318.488 6 ↓

Analogs

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Popular Name: 5-(2-aminoethyl)-N-(1-propyl-4-piperidyl)thiophene-2-sulfonamide 5-(2-aminoethyl)-N-(1-propyl-4-p…

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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) 1.48 3.2 -105.5 5 5 2 78 333.523 7 ↓

Analogs

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Popular Name: 5-(4-piperidylsulfamoyl)thiophene-2-carboxylic 5-(4-piperidylsulfamoyl)thiophen…

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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) 0.59 1.29 -72.03 3 6 0 103 290.366 4 ↓

Analogs

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Popular Name: 5-(4-piperidylsulfamoyl)thiophene-3-carboxylic 5-(4-piperidylsulfamoyl)thiophen…

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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) 0.28 1.16 -81.12 3 6 0 103 290.366 4 ↓

Parameters Provided:

ring.id = 114763
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 = 114763 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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