UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(4-methoxyphenyl)-6-methyl-2-oxo-1,3-dihydrobenzoimidazole-5-sulfonamide N-(4-methoxyphenyl)-6-methyl-2-o…

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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 0.91 -14.78 3 7 0 104 333.369 4 ↓
Hi High (pH 8-9.5) 2.22 1.73 -45.36 2 7 1 103 332.361 4 ↓
Hi High (pH 8-9.5) 2.25 1.33 -43.36 2 7 -1 106 332.361 4 ↓

Analogs

11635270
11635270
11635297
11635297
11635304
11635304
11635309
11635309
11635326
11635326

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Popular Name: 6-methyl-2-oxo-N-(p-tolyl)-1,3-dihydrobenzoimidazole-5-sulfonamide 6-methyl-2-oxo-N-(p-tolyl)-1,3-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) 2.64 2.3 -13.4 3 6 0 95 317.37 3 ↓
Hi High (pH 8-9.5) 2.61 3.1 -45.94 2 6 1 94 316.362 3 ↓
Hi High (pH 8-9.5) 2.64 2.72 -43.89 2 6 -1 97 316.362 3 ↓

Analogs

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Popular Name: N-(4-ethylphenyl)-6-methyl-2-oxo-benzimidazole-5-sulfonamide N-(4-ethylphenyl)-6-methyl-2-oxo…

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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 3.06 -13.18 3 6 0 95 331.397 4 ↓
Hi High (pH 8-9.5) 3.08 3.87 -43.54 2 6 1 94 330.389 4 ↓
Hi High (pH 8-9.5) 3.11 3.48 -43.79 2 6 -1 97 330.389 4 ↓

Analogs

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Popular Name: N-(3-ethylphenyl)-6-methyl-2-oxo-benzimidazole-5-sulfonamide N-(3-ethylphenyl)-6-methyl-2-oxo…

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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 3.5 -12.77 3 6 0 95 331.397 4 ↓
Hi High (pH 8-9.5) 3.05 3.87 -45.03 2 6 1 94 330.389 4 ↓
Hi High (pH 8-9.5) 3.08 3.48 -44.08 2 6 -1 97 330.389 4 ↓

Analogs

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Popular Name: N-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-benzimidazole-5-sulfonamide N-(2,4-dimethoxyphenyl)-6-methyl…

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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 0.71 -13.49 3 8 0 113 363.395 5 ↓
Hi High (pH 8-9.5) 2.23 0.67 -45.53 2 8 -1 115 362.387 5 ↓

Analogs

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Popular Name: N-(3-acetylphenyl)-6-chloro-2-oxo-benzimidazole-5-sulfonamide N-(3-acetylphenyl)-6-chloro-2-ox…

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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 2.32 -46.47 2 7 -1 114 364.79 4 ↓
Mid Mid (pH 6-8) 2.27 2.13 -129.34 3 7 2 109 365.798 4 ↓
Mid Mid (pH 6-8) 2.30 1.88 -17.53 3 7 0 112 365.798 4 ↓

Analogs

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Popular Name: 6-chloro-N-(2-methoxy-5-methyl-phenyl)-2-oxo-benzimidazole-5-sulfonamide 6-chloro-N-(2-methoxy-5-methyl-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) 2.85 1.42 -13.32 3 7 0 104 367.814 4 ↓
Mid Mid (pH 6-8) 2.83 2.16 -45.24 2 7 1 103 366.806 4 ↓
Mid Mid (pH 6-8) 2.85 1.84 -46.35 2 7 -1 106 366.806 4 ↓

Analogs

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Popular Name: 6-chloro-N-(3-fluorophenyl)-2-oxo-benzimidazole-5-sulfonamide 6-chloro-N-(3-fluorophenyl)-2-ox…

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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 1.9 -42 2 6 -1 97 340.743 3 ↓

Analogs

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Popular Name: 6-chloro-N-(3-fluoro-4-methyl-phenyl)-2-oxo-benzimidazole-5-sulfonamide 6-chloro-N-(3-fluoro-4-methyl-ph…

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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 2.54 -42.9 2 6 -1 97 354.77 3 ↓
Mid Mid (pH 6-8) 2.96 2.5 -13.08 3 6 0 95 355.778 3 ↓

Analogs

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Popular Name: 6-chloro-2-oxo-N-(3,4,5-trimethoxyphenyl)benzimidazole-5-sulfonamide 6-chloro-2-oxo-N-(3,4,5-trimetho…

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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 0.97 -43.04 2 9 -1 125 412.831 6 ↓
Mid Mid (pH 6-8) 2.02 1.3 -34.88 2 9 1 121 412.831 6 ↓
Mid Mid (pH 6-8) 2.05 0.26 -15.65 3 9 0 123 413.839 6 ↓

Analogs

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Popular Name: 6-chloro-N-(3,4-dimethylphenyl)-2-oxo-benzimidazole-5-sulfonamide 6-chloro-N-(3,4-dimethylphenyl)-…

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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) 3.25 2.62 -12.06 3 6 0 95 351.815 3 ↓
Mid Mid (pH 6-8) 3.22 3.39 -41.36 2 6 1 94 350.807 3 ↓
Mid Mid (pH 6-8) 3.25 3.06 -44.26 2 6 -1 97 350.807 3 ↓

Analogs

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Popular Name: 6-chloro-N-(2,5-dimethylphenyl)-2-oxo-benzimidazole-5-sulfonamide 6-chloro-N-(2,5-dimethylphenyl)-…

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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) 3.25 2.82 -12.03 3 6 0 95 351.815 3 ↓
Mid Mid (pH 6-8) 3.22 3.59 -44.04 2 6 1 94 350.807 3 ↓
Mid Mid (pH 6-8) 3.25 3.26 -43.12 2 6 -1 97 350.807 3 ↓

Analogs

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Popular Name: 6-chloro-N-(3,5-dimethylphenyl)-2-oxo-benzimidazole-5-sulfonamide 6-chloro-N-(3,5-dimethylphenyl)-…

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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) 3.25 3.16 -44.33 2 6 -1 97 350.807 3 ↓
Mid Mid (pH 6-8) 3.22 3.49 -41.85 2 6 1 94 350.807 3 ↓
Mid Mid (pH 6-8) 3.25 3.13 -11.28 3 6 0 95 351.815 3 ↓

Analogs

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Popular Name: 6-chloro-N-(2-methoxyphenyl)-2-oxo-benzimidazole-5-sulfonamide 6-chloro-N-(2-methoxyphenyl)-2-o…

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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 0.74 -13.39 3 7 0 104 353.787 4 ↓
Mid Mid (pH 6-8) 2.40 1.5 -46.57 2 7 1 103 352.779 4 ↓
Mid Mid (pH 6-8) 2.43 1.17 -45.32 2 7 -1 106 352.779 4 ↓

Analogs

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Popular Name: 6-chloro-N-(2-ethoxyphenyl)-2-oxo-benzimidazole-5-sulfonamide 6-chloro-N-(2-ethoxyphenyl)-2-ox…

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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) 2.81 1.67 -13.23 3 7 0 104 367.814 5 ↓
Mid Mid (pH 6-8) 2.78 2.42 -46.57 2 7 1 103 366.806 5 ↓
Mid Mid (pH 6-8) 2.81 2.1 -45.48 2 7 -1 106 366.806 5 ↓

Analogs

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Popular Name: 6-chloro-N-(m-tolyl)-2-oxo-benzimidazole-5-sulfonamide 6-chloro-N-(m-tolyl)-2-oxo-benzi…

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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) 2.85 2.51 -43.25 2 6 -1 97 336.78 3 ↓
Mid Mid (pH 6-8) 2.82 2.83 -43.91 2 6 1 94 336.78 3 ↓
Mid Mid (pH 6-8) 2.85 2.06 -11.99 3 6 0 95 337.788 3 ↓

Analogs

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Popular Name: 6-chloro-N-(3-methoxyphenyl)-2-oxo-benzimidazole-5-sulfonamide 6-chloro-N-(3-methoxyphenyl)-2-o…

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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) 2.45 1.13 -43.32 2 7 -1 106 352.779 4 ↓
Mid Mid (pH 6-8) 2.42 1.46 -43.01 2 7 1 103 352.779 4 ↓
Mid Mid (pH 6-8) 2.45 0.69 -13.34 3 7 0 104 353.787 4 ↓

Analogs

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Popular Name: 6-chloro-N-(2,4-dimethylphenyl)-2-oxo-benzimidazole-5-sulfonamide 6-chloro-N-(2,4-dimethylphenyl)-…

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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) 3.25 2.82 -11.98 3 6 0 95 351.815 3 ↓
Mid Mid (pH 6-8) 3.22 3.59 -41.73 2 6 1 94 350.807 3 ↓
Mid Mid (pH 6-8) 3.25 3.26 -42.78 2 6 -1 97 350.807 3 ↓

Analogs

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Popular Name: 6-chloro-2-oxo-N-(p-tolyl)benzimidazole-5-sulfonamide 6-chloro-2-oxo-N-(p-tolyl)benzim…

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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 2.51 -42.89 2 6 -1 97 336.78 3 ↓
Mid Mid (pH 6-8) 2.84 2.84 -44.32 2 6 1 94 336.78 3 ↓
Mid Mid (pH 6-8) 2.87 2.47 -11.32 3 6 0 95 337.788 3 ↓

Analogs

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Popular Name: 6-chloro-N-(o-tolyl)-2-oxo-benzimidazole-5-sulfonamide 6-chloro-N-(o-tolyl)-2-oxo-benzi…

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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) 2.82 2.15 -12.1 3 6 0 95 337.788 3 ↓
Mid Mid (pH 6-8) 2.79 2.93 -45.34 2 6 1 94 336.78 3 ↓
Mid Mid (pH 6-8) 2.82 2.59 -42.08 2 6 -1 97 336.78 3 ↓

Analogs

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Popular Name: 6-chloro-N-(4-ethylphenyl)-2-oxo-benzimidazole-5-sulfonamide 6-chloro-N-(4-ethylphenyl)-2-oxo…

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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) 3.34 3.24 -11.11 3 6 0 95 351.815 4 ↓
Mid Mid (pH 6-8) 3.31 3.6 -41.66 2 6 1 94 350.807 4 ↓
Mid Mid (pH 6-8) 3.34 3.27 -42.76 2 6 -1 97 350.807 4 ↓

Analogs

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Popular Name: 6-chloro-N-(2,3-dimethylphenyl)-2-oxo-benzimidazole-5-sulfonamide 6-chloro-N-(2,3-dimethylphenyl)-…

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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) 3.22 2.69 -12.11 3 6 0 95 351.815 3 ↓
Mid Mid (pH 6-8) 3.19 3.48 -41.83 2 6 1 94 350.807 3 ↓
Mid Mid (pH 6-8) 3.22 3.15 -43.24 2 6 -1 97 350.807 3 ↓

Analogs

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Popular Name: 6-chloro-2-oxo-N-[3-(trifluoromethyl)phenyl]benzimidazole-5-sulfonamide 6-chloro-2-oxo-N-[3-(trifluorome…

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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) 3.29 2.85 -37.35 2 6 -1 97 390.75 4 ↓
Mid Mid (pH 6-8) 3.26 3.13 -113.61 3 6 2 92 391.758 4 ↓
Lo Low (pH 4.5-6) 3.29 2.81 -11.71 3 6 0 95 391.758 4 ↓

Analogs

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Popular Name: 6-chloro-N-(2-ethylphenyl)-2-oxo-benzimidazole-5-sulfonamide 6-chloro-N-(2-ethylphenyl)-2-oxo…

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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) 3.29 2.9 -11.94 3 6 0 95 351.815 4 ↓
Mid Mid (pH 6-8) 3.26 3.68 -45.39 2 6 1 94 350.807 4 ↓
Mid Mid (pH 6-8) 3.29 3.34 -41.82 2 6 -1 97 350.807 4 ↓

Analogs

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Popular Name: 6-chloro-N-(4-ethoxyphenyl)-2-oxo-benzimidazole-5-sulfonamide 6-chloro-N-(4-ethoxyphenyl)-2-ox…

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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) 2.85 2.01 -12.39 3 7 0 104 367.814 5 ↓
Mid Mid (pH 6-8) 2.83 2.38 -43.06 2 7 1 103 366.806 5 ↓
Mid Mid (pH 6-8) 2.85 2.05 -42.46 2 7 -1 106 366.806 5 ↓

Analogs

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Popular Name: 6-chloro-N-ethyl-2-oxo-N-phenyl-benzimidazole-5-sulfonamide 6-chloro-N-ethyl-2-oxo-N-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) 3.04 3.79 -12.04 2 6 0 86 351.815 4 ↓

Analogs

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Popular Name: 6-chloro-N-(4-fluoro-2-methyl-phenyl)-2-oxo-benzimidazole-5-sulfonamide 6-chloro-N-(4-fluoro-2-methyl-ph…

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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 2.66 -38.14 2 6 -1 97 354.77 3 ↓
Mid Mid (pH 6-8) 2.93 2.99 -40.02 2 6 1 94 354.77 3 ↓
Mid Mid (pH 6-8) 2.96 2.22 -12.34 3 6 0 95 355.778 3 ↓

Analogs

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Popular Name: 6-chloro-N-(3-ethylphenyl)-2-oxo-benzimidazole-5-sulfonamide 6-chloro-N-(3-ethylphenyl)-2-oxo…

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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) 3.31 3.27 -43.17 2 6 -1 97 350.807 4 ↓
Mid Mid (pH 6-8) 3.28 3.61 -43.48 2 6 1 94 350.807 4 ↓
Mid Mid (pH 6-8) 3.31 2.83 -11.87 3 6 0 95 351.815 4 ↓

Analogs

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Popular Name: 6-chloro-2-oxo-N-[4-(trifluoromethoxy)phenyl]benzimidazole-5-sulfonamide 6-chloro-2-oxo-N-[4-(trifluorome…

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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) 3.39 1.62 -38.04 2 7 -1 106 406.749 5 ↓
Mid Mid (pH 6-8) 3.36 1.91 -114.89 3 7 2 101 407.757 5 ↓
Mid Mid (pH 6-8) 3.39 1.58 -12.12 3 7 0 104 407.757 5 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

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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 = 7631 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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