UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(4-bromophenyl)sulfonylamino-N-cyclopropyl-benzenesulfonamide 3-(4-bromophenyl)sulfonylamino-N…

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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) 2.92 -9.8 -13.08 2 6 0 92 431.333 6 ↓
Hi High (pH 8-9.5) 2.92 -9.23 -39.99 1 6 -1 94 430.325 6 ↓

Analogs

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Popular Name: N-cyclopropyl-3-phenylsulfonylamino-benzenesulfonamide N-cyclopropyl-3-phenylsulfonylam…

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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) 2.11 -9.05 -13.84 2 6 0 92 352.437 6 ↓
Hi High (pH 8-9.5) 2.11 -8.47 -44.93 1 6 -1 94 351.429 6 ↓

Analogs

25369493
25369493

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Popular Name: N-[3-(cyclopropylsulfamoyl)phenyl]-4-methoxy-benzenesulfonamide N-[3-(cyclopropylsulfamoyl)pheny…

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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) 2.17 -9.03 -14.52 2 7 0 101 382.463 7 ↓
Hi High (pH 8-9.5) 2.17 -8.45 -43.9 1 7 -1 103 381.455 7 ↓

Analogs

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Popular Name: N-[3-(cyclopropylsulfamoyl)phenyl]-4-methyl-benzenesulfonamide N-[3-(cyclopropylsulfamoyl)pheny…

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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 -8.72 -13.77 2 6 0 92 366.464 6 ↓
Hi High (pH 8-9.5) 2.56 -8.14 -45.35 1 6 -1 94 365.456 6 ↓

Analogs

25784597
25784597

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Popular Name: N-[3-(cyclopropylsulfamoyl)phenyl]-2,4-difluoro-benzenesulfonamide N-[3-(cyclopropylsulfamoyl)pheny…

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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) 2.37 -7.91 -13.22 2 6 0 92 388.417 6 ↓
Hi High (pH 8-9.5) 2.37 -7.33 -41.01 1 6 -1 94 387.409 6 ↓

Analogs

21814076
21814076

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Popular Name: N-cyclopropyl-3-(4-fluorophenyl)sulfonylamino-benzenesulfonamide N-cyclopropyl-3-(4-fluorophenyl)…

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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) 2.28 -8.31 -13.52 2 6 0 92 370.427 6 ↓
Hi High (pH 8-9.5) 2.28 -7.73 -39.67 1 6 -1 94 369.419 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(cyclopropylsulfamoyl)phenyl]-3,5-difluoro-benzenesulfonamide N-[3-(cyclopropylsulfamoyl)pheny…

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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) 2.37 -7.57 -12.91 2 6 0 92 388.417 6 ↓
Hi High (pH 8-9.5) 2.37 -6.99 -37.83 1 6 -1 94 387.409 6 ↓

Analogs

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Popular Name: N-[3-(cyclopropylsulfamoyl)phenyl]-2,3,5,6-tetramethyl-benzenesulfonamide N-[3-(cyclopropylsulfamoyl)pheny…

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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) 3.69 -7.38 -13.37 2 6 0 92 408.545 6 ↓
Hi High (pH 8-9.5) 3.69 -6.79 -44.58 1 6 -1 94 407.537 6 ↓

Analogs

10518266
10518266

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Popular Name: N-[3-(cyclopropylsulfamoyl)phenyl]-2,4,6-trimethyl-benzenesulfonamide N-[3-(cyclopropylsulfamoyl)pheny…

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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) 3.32 -7.82 -13.54 2 6 0 92 394.518 6 ↓
Hi High (pH 8-9.5) 3.32 -7.24 -44.88 1 6 -1 94 393.51 6 ↓

Analogs

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Popular Name: 3,4-dichloro-N-[3-(cyclopropylsulfamoyl)phenyl]-benzenesulfonamide 3,4-dichloro-N-[3-(cyclopropylsu…

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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) 3.40 -9.32 -13.39 2 6 0 92 421.327 6 ↓
Hi High (pH 8-9.5) 3.40 -8.75 -38.43 1 6 -1 94 420.319 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(cyclopropylsulfamoyl)phenyl]-3,4-difluoro-benzenesulfonamide N-[3-(cyclopropylsulfamoyl)pheny…

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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) 2.37 -7.57 -14.55 2 6 0 92 388.417 6 ↓
Hi High (pH 8-9.5) 2.37 -6.99 -38.05 1 6 -1 94 387.409 6 ↓

Analogs

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Popular Name: 2,5-dichloro-N-[3-(cyclopropylsulfamoyl)phenyl]-benzenesulfonamide 2,5-dichloro-N-[3-(cyclopropylsu…

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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) 3.40 -9.14 -12.59 2 6 0 92 421.327 6 ↓
Hi High (pH 8-9.5) 3.40 -8.56 -41.25 1 6 -1 94 420.319 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(cyclopropylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide N-[3-(cyclopropylsulfamoyl)pheny…

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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 -6.87 -14.51 2 6 0 92 420.434 7 ↓
Hi High (pH 8-9.5) 2.98 -6.29 -41.45 1 6 -1 94 419.426 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(cyclopropylsulfamoyl)phenyl]-2-(trifluoromethyl)benzenesulfonamide N-[3-(cyclopropylsulfamoyl)pheny…

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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) 2.96 -6.57 -14.69 2 6 0 92 420.434 7 ↓
Hi High (pH 8-9.5) 2.96 -6.04 -46.16 1 6 -1 94 419.426 7 ↓

Analogs

37052568
37052568
37052578
37052578
37052579
37052579
37052583
37052583
37052717
37052717

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(cyclopropylsulfamoyl)phenyl]-2-fluoro-benzenesulfonamide N-[3-(cyclopropylsulfamoyl)pheny…

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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 -8.65 -14.5 2 6 0 92 370.427 6 ↓
Hi High (pH 8-9.5) 2.23 -8.07 -47.14 1 6 -1 94 369.419 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide 4-chloro-N-[3-(cyclopropylsulfam…

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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) 3.61 -7.11 -14.2 2 6 0 92 454.879 7 ↓
Hi High (pH 8-9.5) 3.61 -6.53 -37.96 1 6 -1 94 453.871 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-chlorophenyl)sulfonylamino-N-cyclopropyl-benzenesulfonamide 3-(3-chlorophenyl)sulfonylamino-…

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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) 2.77 -9.19 -13.72 2 6 0 92 386.882 6 ↓
Hi High (pH 8-9.5) 2.77 -8.61 -41.98 1 6 -1 94 385.874 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(cyclopropylsulfamoyl)phenyl]-2,5-dimethyl-benzenesulfonamide N-[3-(cyclopropylsulfamoyl)pheny…

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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) 2.94 -8.21 -13.88 2 6 0 92 380.491 6 ↓
Hi High (pH 8-9.5) 2.94 -7.65 -44.91 1 6 -1 94 379.483 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(cyclopropylsulfamoyl)phenyl]-3,4-dimethyl-benzenesulfonamide N-[3-(cyclopropylsulfamoyl)pheny…

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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) 2.94 -8.43 -13.91 2 6 0 92 380.491 6 ↓
Hi High (pH 8-9.5) 2.94 -7.85 -46.51 1 6 -1 94 379.483 6 ↓

Analogs

10518225
10518225

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Popular Name: N-[3-(cyclopropylsulfamoyl)phenyl]-2,4-dimethyl-benzenesulfonamide N-[3-(cyclopropylsulfamoyl)pheny…

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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) 2.94 -8.22 -13.88 2 6 0 92 380.491 6 ↓
Hi High (pH 8-9.5) 2.94 -7.67 -44.53 1 6 -1 94 379.483 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3-dichloro-N-[3-(cyclopropylsulfamoyl)phenyl]-benzenesulfonamide 2,3-dichloro-N-[3-(cyclopropylsu…

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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) 3.37 -9.54 -16.11 2 6 0 92 421.327 6 ↓
Hi High (pH 8-9.5) 3.37 -8.95 -45.83 1 6 -1 94 420.319 6 ↓

Analogs

10518277
10518277

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Popular Name: N-[3-(cyclopropylsulfamoyl)phenyl]-4-tert-butyl-benzenesulfonamide N-[3-(cyclopropylsulfamoyl)pheny…

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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) 3.82 -7.89 -13.25 2 6 0 92 408.545 7 ↓
Hi High (pH 8-9.5) 3.82 -7.31 -44.87 1 6 -1 94 407.537 7 ↓

Analogs

10518275
10518275

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Popular Name: N-[3-(cyclopropylsulfamoyl)phenyl]-4-isopropyl-benzenesulfonamide N-[3-(cyclopropylsulfamoyl)pheny…

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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) 3.63 -8.25 -13.33 2 6 0 92 394.518 7 ↓
Hi High (pH 8-9.5) 3.63 -7.67 -44.72 1 6 -1 94 393.51 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[3-(cyclopropylsulfamoyl)phenyl]-N,N-diethyl-benzene-1,4-disulfonamide N'-[3-(cyclopropylsulfamoyl)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) 2.18 -12.67 -18.99 2 9 0 129 487.625 10 ↓
Hi High (pH 8-9.5) 2.18 -12.09 -46.17 1 9 -1 131 486.617 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[[3-(cyclopropylsulfamoyl)phenyl]sulfamoyl]-4,5-dimethoxy-phenyl]prop-2-enoic 3-[3-[[3-(cyclopropylsulfamoyl)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) 1.86 -8.23 -57.92 2 10 -1 150 481.528 10 ↓
Hi High (pH 8-9.5) 1.86 -7.65 -101.24 1 10 -2 153 480.52 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[3-(cyclopropylsulfamoyl)phenyl]sulfamoyl]-4-methoxy-benzoic 3-[[3-(cyclopropylsulfamoyl)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) 2.01 -9.01 -61.43 2 9 -1 141 425.464 8 ↓
Hi High (pH 8-9.5) 2.01 -8.43 -113.17 1 9 -2 143 424.456 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[4-[[3-(cyclopropylsulfamoyl)phenyl]sulfamoyl]phenyl]prop-2-enoic 3-[4-[[3-(cyclopropylsulfamoyl)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) 2.09 -9.14 -58.96 2 8 -1 132 421.476 8 ↓
Hi High (pH 8-9.5) 2.09 -8.56 -96.6 1 8 -2 134 420.468 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-dichloro-N-[3-(cyclopropylsulfamoyl)phenyl]-benzenesulfonamide 2,6-dichloro-N-[3-(cyclopropylsu…

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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) 3.37 -8.73 -13.82 2 6 0 92 421.327 6 ↓
Hi High (pH 8-9.5) 3.37 -8.15 -44.39 1 6 -1 94 420.319 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[3-(cyclopropylsulfamoyl)phenyl]sulfamoyl]-2-methyl-benzoic 5-[[3-(cyclopropylsulfamoyl)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) 2.06 -9.28 -61.31 2 8 -1 132 409.465 7 ↓
Hi High (pH 8-9.5) 2.06 -8.7 -113.94 1 8 -2 134 408.457 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(cyclopropylsulfamoyl)phenyl]-2,3,4-trifluoro-benzenesulfonamide N-[3-(cyclopropylsulfamoyl)pheny…

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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 -7.18 -15.28 2 6 0 92 406.407 6 ↓
Hi High (pH 8-9.5) 2.46 -6.6 -40.34 1 6 -1 94 405.399 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dichloro-N-[3-(cyclopropylsulfamoyl)phenyl]-benzenesulfonamide 3,5-dichloro-N-[3-(cyclopropylsu…

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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) 3.40 -9.34 -12.36 2 6 0 92 421.327 6 ↓
Hi High (pH 8-9.5) 3.40 -8.76 -38.28 1 6 -1 94 420.319 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-benzenesulfonamide 2-chloro-N-[3-(cyclopropylsulfam…

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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) 2.74 -9.02 -13.94 2 6 0 92 386.882 6 ↓
Hi High (pH 8-9.5) 2.74 -8.44 -45.15 1 6 -1 94 385.874 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(cyclopropylsulfamoyl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide N-[3-(cyclopropylsulfamoyl)pheny…

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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) 3.83 -4.71 -13.05 2 6 0 92 488.431 8 ↓
Hi High (pH 8-9.5) 3.83 -4.13 -36.56 1 6 -1 94 487.423 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-bromophenyl)sulfonylamino-N-cyclopropyl-benzenesulfonamide 3-(3-bromophenyl)sulfonylamino-N…

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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 -9.8 -13.68 2 6 0 92 431.333 6 ↓
Hi High (pH 8-9.5) 2.90 -9.23 -41.89 1 6 -1 94 430.325 6 ↓

Analogs

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Popular Name: 4-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]-2-fluoro-benzenesulfonamide 4-chloro-N-[3-(cyclopropylsulfam…

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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 -8.8 -12.94 2 6 0 92 404.872 6 ↓
Hi High (pH 8-9.5) 2.88 -8.22 -41.5 1 6 -1 94 403.864 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]-3-methyl-benzenesulfonamide 4-bromo-N-[3-(cyclopropylsulfamo…

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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) 3.30 -9.46 -13.24 2 6 0 92 445.36 6 ↓
Hi High (pH 8-9.5) 3.30 -8.88 -40.93 1 6 -1 94 444.352 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]-benzenesulfonamide 2-bromo-N-[3-(cyclopropylsulfamo…

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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) 2.87 -9.9 -16.19 2 6 0 92 431.333 6 ↓
Hi High (pH 8-9.5) 2.87 -9.32 -47.34 1 6 -1 94 430.325 6 ↓

Analogs

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Popular Name: N-cyclopropyl-3-[4-(trifluoromethoxy)phenyl]sulfonylamino-benzenesulfonamide N-cyclopropyl-3-[4-(trifluoromet…

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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) 3.08 -7.51 -13.45 2 7 0 101 436.433 8 ↓
Hi High (pH 8-9.5) 3.08 -6.93 -39.13 1 7 -1 103 435.425 8 ↓

Analogs

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Popular Name: N-[3-(cyclopropylsulfamoyl)phenyl]-2,3,4,5,6-pentamethyl-benzenesulfonamide N-[3-(cyclopropylsulfamoyl)pheny…

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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) 4.07 -7.12 -13.69 2 6 0 92 422.572 6 ↓
Hi High (pH 8-9.5) 4.07 -6.54 -45.97 1 6 -1 94 421.564 6 ↓

Analogs

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Popular Name: 3-[3-[[3-(cyclopropylsulfamoyl)phenyl]sulfamoyl]-4-methoxy-phenyl]prop-2-enoic 3-[3-[[3-(cyclopropylsulfamoyl)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) 2.07 -8.73 -61.71 2 9 -1 141 451.502 9 ↓
Hi High (pH 8-9.5) 2.07 -8.15 -105.62 1 9 -2 143 450.494 9 ↓

Analogs

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Popular Name: 5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]-2-methoxy-benzenesulfonamide 5-bromo-N-[3-(cyclopropylsulfamo…

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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) 2.91 -9.36 -14.42 2 7 0 101 461.359 7 ↓
Hi High (pH 8-9.5) 2.91 -8.78 -45.86 1 7 -1 103 460.351 7 ↓

Analogs

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Popular Name: N-[3-(cyclopropylsulfamoyl)phenyl]-2,6-dimethyl-4-tert-butyl-benzenesulfonamide N-[3-(cyclopropylsulfamoyl)pheny…

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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) 4.57 -6.99 -12.99 2 6 0 92 436.599 7 ↓
Hi High (pH 8-9.5) 4.57 -6.41 -44.66 1 6 -1 94 435.591 7 ↓

Analogs

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Popular Name: N-cyclopropyl-3-[4-(trifluoromethyl)phenyl]sulfonylamino-benzenesulfonamide N-cyclopropyl-3-[4-(trifluoromet…

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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) 3.01 -6.88 -13.76 2 6 0 92 420.434 7 ↓
Hi High (pH 8-9.5) 3.01 -6.3 -38.91 1 6 -1 94 419.426 7 ↓

Analogs

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Popular Name: 4-[[3-(cyclopropylsulfamoyl)phenyl]sulfamoyl]benzoic 4-[[3-(cyclopropylsulfamoyl)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) 2.02 -9.46 -57.91 2 8 -1 132 395.438 7 ↓
Hi High (pH 8-9.5) 2.02 -8.88 -98.6 1 8 -2 134 394.43 7 ↓

Analogs

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Popular Name: 3-[4-[[3-(cyclopropylsulfamoyl)phenyl]sulfamoyl]phenyl]propanoic 3-[4-[[3-(cyclopropylsulfamoyl)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) 2.06 -9.13 -56.25 2 8 -1 132 423.492 9 ↓
Hi High (pH 8-9.5) 2.06 -8.55 -95.98 1 8 -2 134 422.484 9 ↓

Analogs

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Popular Name: 3-[[3-(cyclopropylsulfamoyl)phenyl]sulfamoyl]-4,5-dimethyl-benzoic 3-[[3-(cyclopropylsulfamoyl)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) 2.78 -8.58 -63.18 2 8 -1 132 423.492 7 ↓
Hi High (pH 8-9.5) 2.78 -8 -109.54 1 8 -2 134 422.484 7 ↓

Analogs

37054539
37054539
37054541
37054541

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Popular Name: N-[3-(cyclopropylsulfamoyl)phenyl]-4-ethyl-benzenesulfonamide N-[3-(cyclopropylsulfamoyl)pheny…

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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) 3.03 -8.57 -13.45 2 6 0 92 380.491 7 ↓
Hi High (pH 8-9.5) 3.03 -7.99 -44.88 1 6 -1 94 379.483 7 ↓

Analogs

25369946
25369946

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Popular Name: 5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]-2-methyl-benzenesulfonamide 5-bromo-N-[3-(cyclopropylsulfamo…

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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) 3.30 -9.29 -13.7 2 6 0 92 445.36 6 ↓
Hi High (pH 8-9.5) 3.30 -8.73 -41.37 1 6 -1 94 444.352 6 ↓

Analogs

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Popular Name: 3-[[3-(cyclopropylsulfamoyl)phenyl]sulfamoyl]-4-methyl-benzoic 3-[[3-(cyclopropylsulfamoyl)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) 2.40 -8.94 -61.68 2 8 -1 132 409.465 7 ↓
Hi High (pH 8-9.5) 2.40 -8.38 -107.67 1 8 -2 134 408.457 7 ↓

Analogs

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Popular Name: 5-[[3-(cyclopropylsulfamoyl)phenyl]sulfamoyl]-2-ethoxy-benzoic 5-[[3-(cyclopropylsulfamoyl)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) 2.47 3.77 -62.18 2 9 -1 142 439.491 9 ↓
Mid Mid (pH 6-8) 2.47 3.83 -116.61 1 9 -2 144 438.483 9 ↓

Parameters Provided:

ring.id = 10195
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 = 10195 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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