UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[ethyl(m-tolyl)sulfamoyl]-1H-pyrrole-2-carboxylic 4-[ethyl(m-tolyl)sulfamoyl]-1H-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) 2.40 5.4 -50.54 1 6 -1 93 307.351 5 ↓

Analogs

34940599
34940599
37043635
37043635
37045513
37045513

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Popular Name: 4-[(3,4-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic 4-[(3,4-difluorophenyl)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) 1.61 1.92 -53.87 2 6 -1 102 301.25 4 ↓
Mid Mid (pH 6-8) 1.61 1.99 -92.18 1 6 -2 104 300.242 4 ↓

Analogs

22156935
22156935
36983641
36983641
37027831
37027831
37043782
37043782
37046308
37046308

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Popular Name: 4-[(2-ethyl-6-methyl-phenyl)sulfamoyl]-1H-pyrrole-2-carboxylic 4-[(2-ethyl-6-methyl-phenyl)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) 2.63 4.09 -50.6 2 6 -1 102 307.351 5 ↓

Analogs

36983641
36983641
36983702
36983702
37043635
37043635
37043782
37043782
37044105
37044105

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Popular Name: 4-[(4-methylsulfanylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic 4-[(4-methylsulfanylphenyl)sulfa…

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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) 1.79 2.73 -54.94 2 6 -1 102 311.364 5 ↓
Hi High (pH 8-9.5) 1.79 2.8 -100.68 1 6 -2 104 310.356 5 ↓

Analogs

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Popular Name: 4-[(2-carbamoylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic 4-[(2-carbamoylphenyl)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) 0.13 -0.17 -52.87 4 8 -1 145 308.295 5 ↓
Mid Mid (pH 6-8) 0.13 -0.19 -114.8 3 8 -2 147 307.287 5 ↓

Analogs

22157322
22157322
22158430
22158430

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Popular Name: 4-[(2-cyano-3-fluoro-phenyl)sulfamoyl]-1H-pyrrole-2-carboxylic 4-[(2-cyano-3-fluoro-phenyl)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) 1.18 3.21 -99.08 1 7 -2 128 307.262 4 ↓
Lo Low (pH 4.5-6) 1.18 3.14 -48.03 2 7 -1 126 308.27 4 ↓

Analogs

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Popular Name: 4-[(4-dimethylaminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic 4-[(4-dimethylaminophenyl)sulfam…

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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) 1.46 3.12 -50.73 2 7 -1 105 308.339 5 ↓

Analogs

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Popular Name: 4-(phenylsulfamoyl)-1-propyl-pyrrole-2-carboxylic 4-(phenylsulfamoyl)-1-propyl-pyr…

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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) 2.30 5.85 -52.32 1 6 -1 91 307.351 6 ↓
Hi High (pH 8-9.5) 2.30 5.99 -107.59 0 6 -2 93 306.343 6 ↓

Analogs

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Popular Name: 1-ethyl-4-(phenylsulfamoyl)pyrrole-2-carboxylic 1-ethyl-4-(phenylsulfamoyl)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) 1.80 5.09 -51.98 1 6 -1 91 293.324 5 ↓
Hi High (pH 8-9.5) 1.80 5.23 -107.04 0 6 -2 93 292.316 5 ↓

Analogs

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Popular Name: 1-isopropyl-4-(phenylsulfamoyl)pyrrole-2-carboxylic 1-isopropyl-4-(phenylsulfamoyl)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) 2.16 5.65 -52.29 1 6 -1 91 307.351 5 ↓
Hi High (pH 8-9.5) 2.16 5.78 -107.89 0 6 -2 93 306.343 5 ↓

Analogs

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Popular Name: 1-ethyl-4-[methyl(phenyl)sulfamoyl]pyrrole-2-carboxylic 1-ethyl-4-[methyl(phenyl)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) 2.05 6.51 -52.8 0 6 -1 82 307.351 5 ↓

Analogs

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Popular Name: 1-ethyl-4-(m-tolylsulfamoyl)pyrrole-2-carboxylic 1-ethyl-4-(m-tolylsulfamoyl)pyrr…

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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) 2.23 5.77 -51.92 1 6 -1 91 307.351 5 ↓
Hi High (pH 8-9.5) 2.23 5.91 -108.47 0 6 -2 93 306.343 5 ↓

Analogs

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Popular Name: 1-ethyl-4-(p-tolylsulfamoyl)pyrrole-2-carboxylic 1-ethyl-4-(p-tolylsulfamoyl)pyrr…

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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 5.77 -51.75 1 6 -1 91 307.351 5 ↓
Hi High (pH 8-9.5) 2.25 5.91 -107.92 0 6 -2 93 306.343 5 ↓

Analogs

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Popular Name: 4-[(3-chlorophenyl)sulfamoyl]-1-ethyl-pyrrole-2-carboxylic 4-[(3-chlorophenyl)sulfamoyl]-1-…

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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) 2.46 5.61 -52.41 1 6 -1 91 327.769 5 ↓
Hi High (pH 8-9.5) 2.46 5.75 -102.29 0 6 -2 93 326.761 5 ↓

Analogs

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Popular Name: 1-ethyl-4-[(3-fluorophenyl)sulfamoyl]pyrrole-2-carboxylic 1-ethyl-4-[(3-fluorophenyl)sulfa…

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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) 1.94 5.16 -53.29 1 6 -1 91 311.314 5 ↓
Hi High (pH 8-9.5) 1.94 5.3 -101.98 0 6 -2 93 310.306 5 ↓

Analogs

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Popular Name: 4-[(4-chlorophenyl)sulfamoyl]-1-ethyl-pyrrole-2-carboxylic 4-[(4-chlorophenyl)sulfamoyl]-1-…

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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) 2.48 5.61 -50.1 1 6 -1 91 327.769 5 ↓
Hi High (pH 8-9.5) 2.48 5.75 -101.08 0 6 -2 93 326.761 5 ↓

Analogs

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Popular Name: 4-[(2-bromophenyl)sulfamoyl]-1-ethyl-pyrrole-2-carboxylic 4-[(2-bromophenyl)sulfamoyl]-1-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) 2.56 5.9 -49.86 1 6 -1 91 372.22 5 ↓
Mid Mid (pH 6-8) 2.56 5.93 -104.51 0 6 -2 93 371.212 5 ↓

Analogs

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Popular Name: 4-[(4-bromophenyl)sulfamoyl]-1-ethyl-pyrrole-2-carboxylic 4-[(4-bromophenyl)sulfamoyl]-1-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) 2.61 5.72 -49.93 1 6 -1 91 372.22 5 ↓
Hi High (pH 8-9.5) 2.61 5.85 -101.17 0 6 -2 93 371.212 5 ↓

Analogs

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Popular Name: 4-[(3-bromophenyl)sulfamoyl]-1-ethyl-pyrrole-2-carboxylic 4-[(3-bromophenyl)sulfamoyl]-1-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) 2.59 5.72 -52.21 1 6 -1 91 372.22 5 ↓
Hi High (pH 8-9.5) 2.59 5.85 -102.38 0 6 -2 93 371.212 5 ↓

Analogs

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Popular Name: 1-ethyl-4-[(4-fluorophenyl)sulfamoyl]pyrrole-2-carboxylic 1-ethyl-4-[(4-fluorophenyl)sulfa…

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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) 1.97 5.16 -50.34 1 6 -1 91 311.314 5 ↓
Hi High (pH 8-9.5) 1.97 5.3 -100.47 0 6 -2 93 310.306 5 ↓

Analogs

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Popular Name: 4-[(2-chlorophenyl)sulfamoyl]-1-ethyl-pyrrole-2-carboxylic 4-[(2-chlorophenyl)sulfamoyl]-1-…

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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) 2.43 5.78 -49.96 1 6 -1 91 327.769 5 ↓
Mid Mid (pH 6-8) 2.43 5.8 -105.15 0 6 -2 93 326.761 5 ↓

Analogs

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Popular Name: 1-ethyl-4-[(2-fluorophenyl)sulfamoyl]pyrrole-2-carboxylic 1-ethyl-4-[(2-fluorophenyl)sulfa…

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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) 1.92 5.28 -50.39 1 6 -1 91 311.314 5 ↓
Hi High (pH 8-9.5) 1.92 5.31 -108.1 0 6 -2 93 310.306 5 ↓

Analogs

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Popular Name: 1-ethyl-4-(o-tolylsulfamoyl)pyrrole-2-carboxylic 1-ethyl-4-(o-tolylsulfamoyl)pyrr…

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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) 2.20 6 -107.2 0 6 -2 93 306.343 5 ↓

Analogs

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Popular Name: 1-ethyl-4-[(4-iodophenyl)sulfamoyl]pyrrole-2-carboxylic 1-ethyl-4-[(4-iodophenyl)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) 2.88 6.2 -49.78 1 6 -1 91 419.22 5 ↓
Hi High (pH 8-9.5) 2.88 6.33 -101.56 0 6 -2 93 418.212 5 ↓

Analogs

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Popular Name: 1-ethyl-4-[(3-iodophenyl)sulfamoyl]pyrrole-2-carboxylic 1-ethyl-4-[(3-iodophenyl)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) 2.86 6.2 -51.8 1 6 -1 91 419.22 5 ↓
Hi High (pH 8-9.5) 2.86 6.33 -102.63 0 6 -2 93 418.212 5 ↓

Analogs

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Popular Name: 1-ethyl-4-[(2-iodophenyl)sulfamoyl]pyrrole-2-carboxylic 1-ethyl-4-[(2-iodophenyl)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) 2.84 6.38 -49.23 1 6 -1 91 419.22 5 ↓
Hi High (pH 8-9.5) 2.84 6.4 -103.19 0 6 -2 93 418.212 5 ↓

Analogs

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Popular Name: 4-[(4-chloro-2-fluoro-phenyl)sulfamoyl]-1-methyl-pyrrole-2-carboxylic 4-[(4-chloro-2-fluoro-phenyl)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) 2.19 4.93 -48.2 1 6 -1 91 331.732 4 ↓
Mid Mid (pH 6-8) 2.19 4.97 -100.03 0 6 -2 93 330.724 4 ↓

Analogs

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Popular Name: 4-[(5-chloro-2-fluoro-phenyl)sulfamoyl]-1-methyl-pyrrole-2-carboxylic 4-[(5-chloro-2-fluoro-phenyl)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) 2.19 4.92 -50.41 1 6 -1 91 331.732 4 ↓
Mid Mid (pH 6-8) 2.19 4.97 -103.68 0 6 -2 93 330.724 4 ↓

Analogs

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Popular Name: 4-[(2-carboxy-4-methyl-phenyl)sulfamoyl]-1H-pyrrole-2-carboxylic 4-[(2-carboxy-4-methyl-phenyl)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) 1.83 4.18 -199.42 1 8 -3 144 321.29 5 ↓
Mid Mid (pH 6-8) 1.83 4.15 -101.4 2 8 -2 142 322.298 5 ↓

Analogs

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Popular Name: 5-nitro-2-(1H-pyrrol-3-ylsulfonylamino)benzoic 5-nitro-2-(1H-pyrrol-3-ylsulfony…

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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) 1.52 3.73 -112.42 1 9 -2 150 309.259 5 ↓
Lo Low (pH 4.5-6) 1.52 3.71 -45.22 2 9 -1 148 310.267 5 ↓

Analogs

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Popular Name: 4-nitro-2-(1H-pyrrol-3-ylsulfonylamino)benzoic 4-nitro-2-(1H-pyrrol-3-ylsulfony…

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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) 1.52 3.75 -117.72 1 9 -2 150 309.259 5 ↓
Lo Low (pH 4.5-6) 1.52 3.74 -42.26 2 9 -1 148 310.267 5 ↓

Analogs

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Popular Name: 5-iodo-2-(1H-pyrrol-3-ylsulfonylamino)benzoic 5-iodo-2-(1H-pyrrol-3-ylsulfonyl…

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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) 2.65 4.13 -122.35 1 6 -2 104 390.158 4 ↓
Mid Mid (pH 6-8) 2.65 4.11 -47.09 2 6 -1 102 391.166 4 ↓

Analogs

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Popular Name: 5-iodo-2-[(1-methylpyrrol-3-yl)sulfonylamino]benzoic 5-iodo-2-[(1-methylpyrrol-3-yl)s…

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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) 2.72 5.89 -124.72 0 6 -2 93 404.185 4 ↓
Mid Mid (pH 6-8) 2.72 5.88 -50.75 1 6 -1 91 405.193 4 ↓

Analogs

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Popular Name: 3,5-dibromo-2-(1H-pyrrol-3-ylsulfonylamino)benzoic 3,5-dibromo-2-(1H-pyrrol-3-ylsul…

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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) 3.11 4.54 -123.66 1 6 -2 104 422.054 4 ↓
Lo Low (pH 4.5-6) 3.11 4.4 -43.62 2 6 -1 102 423.062 4 ↓

Analogs

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Popular Name: 3,5-dibromo-2-[(1-methylpyrrol-3-yl)sulfonylamino]benzoic 3,5-dibromo-2-[(1-methylpyrrol-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) 3.18 6.3 -125.97 0 6 -2 93 436.081 4 ↓
Lo Low (pH 4.5-6) 3.18 6.17 -44.99 1 6 -1 91 437.089 4 ↓

Analogs

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Popular Name: 3,5-dimethyl-2-(1H-pyrrol-3-ylsulfonylamino)benzoic 3,5-dimethyl-2-(1H-pyrrol-3-ylsu…

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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) 2.39 4.56 -49.21 2 6 -1 102 293.324 4 ↓
Mid Mid (pH 6-8) 2.39 4.74 -137.38 1 6 -2 104 292.316 4 ↓

Analogs

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Popular Name: 3,5-dimethyl-2-[(1-methylpyrrol-3-yl)sulfonylamino]benzoic 3,5-dimethyl-2-[(1-methylpyrrol-…

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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) 2.46 6.33 -50.73 1 6 -1 91 307.351 4 ↓
Mid Mid (pH 6-8) 2.46 6.5 -139.82 0 6 -2 93 306.343 4 ↓

Analogs

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Popular Name: 3-bromo-2-(1H-pyrrol-3-ylsulfonylamino)benzoic 3-bromo-2-(1H-pyrrol-3-ylsulfony…

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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) 2.35 3.94 -131.09 1 6 -2 104 343.158 4 ↓
Lo Low (pH 4.5-6) 2.35 3.81 -45.79 2 6 -1 102 344.166 4 ↓

Analogs

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Popular Name: 3-bromo-2-[(1-methylpyrrol-3-yl)sulfonylamino]benzoic 3-bromo-2-[(1-methylpyrrol-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) 2.42 5.7 -132.72 0 6 -2 93 357.185 4 ↓
Lo Low (pH 4.5-6) 2.42 5.56 -49.97 1 6 -1 91 358.193 4 ↓

Analogs

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Popular Name: N-[3-(2-aminoethoxy)phenyl]-1-methyl-pyrrole-3-sulfonamide N-[3-(2-aminoethoxy)phenyl]-1-me…

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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) 0.45 1.72 -76.03 3 6 0 90 295.364 6 ↓
Hi High (pH 8-9.5) 0.45 1.28 -53.97 2 6 -1 88 294.356 6 ↓
Mid Mid (pH 6-8) 0.45 1.61 -55.16 4 6 1 88 296.372 6 ↓

Analogs

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Popular Name: N-[3-(2-aminoethoxy)phenyl]-1H-pyrrole-3-sulfonamide N-[3-(2-aminoethoxy)phenyl]-1H-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) 0.38 -0.04 -74.66 4 6 0 101 281.337 6 ↓
Hi High (pH 8-9.5) 0.38 -0.48 -52.59 3 6 -1 99 280.329 6 ↓
Mid Mid (pH 6-8) 0.38 -0.04 -54.63 5 6 1 99 282.345 6 ↓

Analogs

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Popular Name: 3-fluoro-4-(1H-pyrrol-3-ylsulfonylamino)benzoic 3-fluoro-4-(1H-pyrrol-3-ylsulfon…

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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) 1.55 3.01 -111.72 1 6 -2 104 282.252 4 ↓
Lo Low (pH 4.5-6) 1.55 2.87 -48.87 2 6 -1 102 283.26 4 ↓

Analogs

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Popular Name: 3-fluoro-4-[(1-methylpyrrol-3-yl)sulfonylamino]benzoic 3-fluoro-4-[(1-methylpyrrol-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) 1.62 4.67 -108.97 0 6 -2 93 296.279 4 ↓
Mid Mid (pH 6-8) 1.62 4.64 -47.38 1 6 -1 91 297.287 4 ↓

Analogs

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Popular Name: 4-[[(2S)-2-hydroxybutyl]-phenyl-sulfamoyl]-1H-pyrrole-2-carboxylic 4-[[(2S)-2-hydroxybutyl]-phenyl-…

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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) 1.84 3.42 -53.05 2 7 -1 114 337.377 7 ↓

Analogs

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Popular Name: 4-[[(2R)-2-hydroxybutyl]-phenyl-sulfamoyl]-1H-pyrrole-2-carboxylic 4-[[(2R)-2-hydroxybutyl]-phenyl-…

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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) 1.84 3.03 -53.31 2 7 -1 114 337.377 7 ↓

Analogs

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Popular Name: 4-[2-cyanoethyl(p-tolyl)sulfamoyl]-1-methyl-pyrrole-2-carboxamide 4-[2-cyanoethyl(p-tolyl)sulfamoy…

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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 4.12 -16.6 2 7 0 109 346.412 6 ↓

Analogs

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Popular Name: 4-[[3-[(1R)-1-methylpropoxy]phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic 4-[[3-[(1R)-1-methylpropoxy]phen…

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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) 2.63 4.4 -105.42 1 7 -2 113 336.369 7 ↓
Mid Mid (pH 6-8) 2.63 4.37 -51.67 2 7 -1 111 337.377 7 ↓

Analogs

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Popular Name: 4-[[3-[(1S)-1-methylpropoxy]phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic 4-[[3-[(1S)-1-methylpropoxy]phen…

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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) 2.63 4.4 -103.12 1 7 -2 113 336.369 7 ↓
Mid Mid (pH 6-8) 2.63 4.37 -51.9 2 7 -1 111 337.377 7 ↓

Analogs

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Popular Name: 4-[[2-(ethylcarbamoyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic 4-[[2-(ethylcarbamoyl)phenyl]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) 0.88 2.14 -116.36 2 8 -2 133 335.341 6 ↓
Lo Low (pH 4.5-6) 0.88 2.16 -52.5 3 8 -1 131 336.349 6 ↓

Analogs

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Popular Name: 4-[[4-fluoro-3-(methylcarbamoyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic 4-[[4-fluoro-3-(methylcarbamoyl)…

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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 1.09 -97.28 2 8 -2 133 339.304 5 ↓
Lo Low (pH 4.5-6) 0.64 1.06 -55.22 3 8 -1 131 340.312 5 ↓

Parameters Provided:

ring.id = 11074
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 = 11074 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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