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Analogs

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Popular Name: 4-chloro-3-(6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]triazol-3-ylmethylsulfamoyl)benzoic 4-chloro-3-(6,7-dihydro-5H-pyrro…

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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) 0.97 3.68 -57.43 1 8 -1 117 355.783 5 ↓

Analogs

37984323
37984323

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Popular Name: 2-chloro-5-(6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]triazol-3-ylmethylsulfamoyl)benzoic 2-chloro-5-(6,7-dihydro-5H-pyrro…

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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 4.02 -64.25 1 8 -1 117 355.783 5 ↓

Analogs

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Popular Name: 3-(6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]triazol-3-ylmethylsulfamoyl)benzoic 3-(6,7-dihydro-5H-pyrrolo[1,2-d]…

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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 3.62 -65.05 1 8 -1 117 321.338 5 ↓

Analogs

37984321
37984321

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Popular Name: 2-bromo-5-(6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]triazol-3-ylmethylsulfamoyl)benzoic 2-bromo-5-(6,7-dihydro-5H-pyrrol…

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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) 0.76 4.12 -63.44 1 8 -1 117 400.234 5 ↓

Analogs

37984319
37984319

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Popular Name: 5-(6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]triazol-3-ylmethylsulfamoyl)-2-fluoro-benzoic 5-(6,7-dihydro-5H-pyrrolo[1,2-d]…

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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) 0.11 3.66 -67.48 1 8 -1 117 339.328 5 ↓

Analogs

37984318
37984318

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Popular Name: 4-bromo-3-(6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]triazol-3-ylmethylsulfamoyl)benzoic 4-bromo-3-(6,7-dihydro-5H-pyrrol…

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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) 1.10 4.37 -54.44 1 8 -1 117 400.234 5 ↓

Analogs

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Popular Name: 3-(6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]triazol-3-ylmethylsulfamoyl)-4,5-dimethyl-benzoic 3-(6,7-dihydro-5H-pyrrolo[1,2-d]…

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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) 1.11 5.08 -61.51 1 8 -1 117 349.392 5 ↓

Analogs

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Popular Name: 3-(6,7-dihydro-5H-pyrrolo[1,2-d][1,2,4]triazol-3-ylmethylsulfamoyl)-4-methyl-benzoic 3-(6,7-dihydro-5H-pyrrolo[1,2-d]…

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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) 0.74 4.53 -60.64 1 8 -1 117 335.365 5 ↓

Parameters Provided:

ring.id = 116620
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 = 116620 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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