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Analogs

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Popular Name: N-[4-methyl-3-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)phenyl]acetamide N-[4-methyl-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) -0.44 1.37 -18.74 3 8 0 117 309.351 5 ↓
Ref Reference (pH 7) -0.44 1.35 -18.41 3 8 0 117 309.351 5 ↓

Analogs

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Popular Name: 2-[4-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)phenoxy]acetic 2-[4-(4H-1,2,4-triazol-3-ylmethy…

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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) -0.73 2.41 -54.02 2 9 -1 137 311.299 7 ↓

Analogs

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Popular Name: 3-bromo-4-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)benzoic 3-bromo-4-(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 2.89 -50.23 2 8 -1 128 360.169 5 ↓

Analogs

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Popular Name: (E)-3-[4-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)phenyl]prop-2-enoic (E)-3-[4-(4H-1,2,4-triazol-3-ylm…

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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 3.42 -56 2 8 -1 128 307.311 6 ↓

Analogs

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Popular Name: 3-[4-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)phenyl]propanoic 3-[4-(4H-1,2,4-triazol-3-ylmethy…

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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 3.72 -53.59 2 8 -1 128 309.327 7 ↓

Analogs

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Popular Name: 2-[4-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)phenyl]acetic 2-[4-(4H-1,2,4-triazol-3-ylmethy…

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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 2.91 -54.29 2 8 -1 128 295.3 6 ↓

Analogs

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Popular Name: 4-hydroxy-3-nitro-N-(4H-1,2,4-triazol-3-ylmethyl)benzenesulfonamide 4-hydroxy-3-nitro-N-(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) -0.37 1.33 -48.56 2 10 -1 157 298.26 5 ↓
Mid Mid (pH 6-8) -0.37 0.34 -18.37 3 10 0 154 299.268 5 ↓

Analogs

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Popular Name: 2,4-dibromo-N-(4H-1,2,4-triazol-3-ylmethyl)benzenesulfonamide 2,4-dibromo-N-(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) 1.51 2.95 -12.15 2 6 0 88 396.064 4 ↓

Analogs

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Popular Name: 2-fluoro-N-(4H-1,2,4-triazol-3-ylmethyl)benzenesulfonamide 2-fluoro-N-(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) 0.08 1.31 -15.24 2 6 0 88 256.262 4 ↓

Analogs

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Popular Name: N1-(4H-1,2,4-triazol-3-ylmethyl)benzene-1,3-disulfonamide N1-(4H-1,2,4-triazol-3-ylmethyl)…

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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 -3.46 -22.13 4 9 0 148 317.352 5 ↓

Analogs

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Popular Name: N-[3-fluoro-4-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)phenyl]acetamide N-[3-fluoro-4-(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) -0.73 0.22 -20.96 3 8 0 117 313.314 5 ↓
Ref Reference (pH 7) -0.73 0.2 -18.17 3 8 0 117 313.314 5 ↓

Analogs

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Popular Name: N-[4-(4H-1,2,4-triazol-3-ylmethylsulfamoyl)phenyl]acetamide N-[4-(4H-1,2,4-triazol-3-ylmethy…

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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) -0.82 0.47 -19.51 3 8 0 117 295.324 5 ↓
Ref Reference (pH 7) -0.82 0.47 -18.13 3 8 0 117 295.324 5 ↓

Parameters Provided:

ring.id = 533237
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 = 533237 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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