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Analogs

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Popular Name: 4-ethyl-3-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)benzoic 4-ethyl-3-(4H-1,2,4-triazol-3-yl…

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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) 0.72 3.92 -56.23 2 8 -1 128 309.327 6 ↓

Analogs

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Popular Name: 3-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)benzoic 3-(4H-1,2,4-triazol-3-ylmethylsu…

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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) -0.15 2.12 -55.83 2 8 -1 128 281.273 5 ↓

Analogs

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Popular Name: 4-methoxy-3-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)benzoic 4-methoxy-3-(4H-1,2,4-triazol-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) -0.14 1.91 -57.11 2 9 -1 137 311.299 6 ↓

Analogs

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Popular Name: 2-hydroxy-5-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)benzoic 2-hydroxy-5-(4H-1,2,4-triazol-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) -0.13 0.17 -54.2 3 9 -1 148 297.272 5 ↓

Analogs

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Popular Name: 3,4-dimethyl-5-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)benzoic 3,4-dimethyl-5-(4H-1,2,4-triazol…

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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) 0.63 3.46 -58.24 2 8 -1 128 309.327 5 ↓

Analogs

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Popular Name: 2-methyl-5-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)benzoic 2-methyl-5-(4H-1,2,4-triazol-3-y…

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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) -0.09 2.75 -54.3 2 8 -1 128 295.3 5 ↓

Analogs

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Popular Name: 2,6-dichloro-3-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)benzoic 2,6-dichloro-3-(4H-1,2,4-triazol…

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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) 0.75 2.44 -46.67 2 8 -1 128 350.163 5 ↓

Analogs

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Popular Name: 2,4-dichloro-5-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)benzoic 2,4-dichloro-5-(4H-1,2,4-triazol…

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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) 0.75 2.55 -47.98 2 8 -1 128 350.163 5 ↓

Analogs

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Popular Name: 4-methyl-3-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)benzoic 4-methyl-3-(4H-1,2,4-triazol-3-y…

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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) 0.25 3.03 -56.78 2 8 -1 128 295.3 5 ↓

Analogs

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Popular Name: 2-fluoro-5-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)benzoic 2-fluoro-5-(4H-1,2,4-triazol-3-y…

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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) -0.37 2.15 -54.94 2 8 -1 128 299.263 5 ↓

Analogs

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Popular Name: 4-fluoro-3-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)benzoic 4-fluoro-3-(4H-1,2,4-triazol-3-y…

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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) -0.03 1.87 -50.62 2 8 -1 128 299.263 5 ↓

Analogs

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Popular Name: 2,6-difluoro-3-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)benzoic 2,6-difluoro-3-(4H-1,2,4-triazol…

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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 1.86 -53.65 2 8 -1 128 317.253 5 ↓

Analogs

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Popular Name: 2-hydroxy-4-methyl-5-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)benzoic 2-hydroxy-4-methyl-5-(4H-1,2,4-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) 0.25 1.08 -57.77 3 9 -1 148 311.299 5 ↓

Analogs

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Popular Name: 2-chloro-5-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)benzoic 2-chloro-5-(4H-1,2,4-triazol-3-y…

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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) 0.14 2.5 -51.31 2 8 -1 128 315.718 5 ↓

Analogs

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Popular Name: 4-bromo-3-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)benzoic 4-bromo-3-(4H-1,2,4-triazol-3-yl…

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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) 0.61 2.88 -49.56 2 8 -1 128 360.169 5 ↓

Analogs

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Popular Name: 2-methoxy-5-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)benzoic 2-methoxy-5-(4H-1,2,4-triazol-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) -0.06 2.18 -58.55 2 9 -1 137 311.299 6 ↓

Analogs

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Popular Name: 5-bromo-2-fluoro-3-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)benzoic 5-bromo-2-fluoro-3-(4H-1,2,4-tri…

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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) 0.37 2.44 -46.34 2 8 -1 128 378.159 5 ↓

Analogs

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Popular Name: 2-bromo-5-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)benzoic 2-bromo-5-(4H-1,2,4-triazol-3-yl…

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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) 0.27 2.61 -50.4 2 8 -1 128 360.169 5 ↓

Analogs

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Popular Name: 5-chloro-2-fluoro-3-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)benzoic 5-chloro-2-fluoro-3-(4H-1,2,4-tr…

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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) 0.23 2.34 -46.42 2 8 -1 128 333.708 5 ↓

Analogs

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Popular Name: 2,4-dimethyl-5-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)benzoic 2,4-dimethyl-5-(4H-1,2,4-triazol…

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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) 0.29 3.58 -58.56 2 8 -1 128 309.327 5 ↓

Analogs

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Popular Name: 2,5-dichloro-3-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)benzoic 2,5-dichloro-3-(4H-1,2,4-triazol…

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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) 0.75 2.57 -43.45 2 8 -1 128 350.163 5 ↓

Analogs

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Popular Name: 3-fluoro-4-methyl-5-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)benzoic 3-fluoro-4-methyl-5-(4H-1,2,4-tr…

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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) 0.34 3.07 -51.01 2 8 -1 128 313.29 5 ↓

Parameters Provided:

ring.id = 584194
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 = 584194 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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