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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

    7745903
    7745903

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-fluoro-5-[[4-(phenylsulfamoyl)phenyl]sulfamoyl]benzoic 2-fluoro-5-[[4-(phenylsulfamoyl)…

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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) 3.13 3.8 -59.24 2 8 -1 132 449.461 7 ↓
    Hi High (pH 8-9.5) 3.13 3.87 -96.73 1 8 -2 135 448.453 7 ↓
    Hi High (pH 8-9.5) 3.13 3.87 -105.23 1 8 -2 135 448.453 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[4-methoxy-3-[[4-(phenylsulfamoyl)phenyl]sulfamoyl]phenyl]prop-2-enoic (E)-3-[4-methoxy-3-[[4-(phenylsu…

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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) 3.43 4.94 -63.54 2 9 -1 142 487.535 9 ↓
    Hi High (pH 8-9.5) 3.43 5.03 -105.84 1 9 -2 144 486.527 9 ↓
    Hi High (pH 8-9.5) 3.43 5.04 -109.71 1 9 -2 144 486.527 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(4-methoxyphenyl)sulfamoyl]-2-[(4-methoxyphenyl)sulfonylamino]benzoic 5-[(4-methoxyphenyl)sulfamoyl]-2…

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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) 3.60 2.59 -55.58 2 10 -1 151 491.523 9 ↓
    Hi High (pH 8-9.5) 3.60 2.76 -198.12 0 10 -3 155 489.507 9 ↓
    Hi High (pH 8-9.5) 3.60 2.67 -105.95 1 10 -2 153 490.515 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(2,5-dimethylphenyl)sulfonylamino]-5-[(4-methoxyphenyl)sulfamoyl]benzoic 2-[(2,5-dimethylphenyl)sulfonyla…

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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) 4.37 4.86 -54.8 2 9 -1 142 489.551 8 ↓
    Hi High (pH 8-9.5) 4.37 4.94 -124.77 1 9 -2 144 488.543 8 ↓
    Hi High (pH 8-9.5) 4.37 4.98 -103.33 1 9 -2 144 488.543 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(2,4-dimethylphenyl)sulfonylamino]-5-[(4-methoxyphenyl)sulfamoyl]benzoic 2-[(2,4-dimethylphenyl)sulfonyla…

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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) 4.37 4.47 -60.83 2 9 -1 142 489.551 8 ↓
    Hi High (pH 8-9.5) 4.37 4.56 -131.87 1 9 -2 144 488.543 8 ↓
    Hi High (pH 8-9.5) 4.37 4.57 -110.38 1 9 -2 144 488.543 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[4-[(3-chlorophenyl)sulfamoyl]phenyl]sulfamoyl]benzoic 4-[[4-[(3-chlorophenyl)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) 4.03 5.47 -101.07 1 8 -2 135 464.908 7 ↓
    Hi High (pH 8-9.5) 4.03 4.59 -96.53 1 8 -2 135 464.908 7 ↓
    Hi High (pH 8-9.5) 4.03 5.5 -157.26 0 8 -3 137 463.9 7 ↓

    Analogs

    1146323
    1146323

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,5-dichloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide 2,5-dichloro-N-[4-[(2,5-dimethox…

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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) 4.79 -7.6 -15.65 2 8 0 110 517.412 8 ↓
    Hi High (pH 8-9.5) 4.79 -6.47 -100.43 0 8 -2 114 515.396 8 ↓
    Hi High (pH 8-9.5) 4.79 -7.02 -44.53 1 8 -1 112 516.404 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[[4-[(3-chlorophenyl)sulfamoyl]phenyl]sulfamoyl]-2-methoxy-N-methyl-benzamide 5-[[4-[(3-chlorophenyl)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) 3.85 3.71 -22.26 3 9 0 131 509.993 8 ↓
    Hi High (pH 8-9.5) 3.85 3.81 -44.02 2 9 -1 133 508.985 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methoxy-N-methyl-5-[[4-(o-tolylsulfamoyl)phenyl]sulfamoyl]benzamide 2-methoxy-N-methyl-5-[[4-(o-toly…

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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) 3.60 3.85 -21.33 3 9 0 131 489.575 8 ↓
    Hi High (pH 8-9.5) 3.60 3.94 -51.18 2 9 -1 133 488.567 8 ↓
    Hi High (pH 8-9.5) 3.60 3.94 -44.01 2 9 -1 133 488.567 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]sulfamoyl]-2-methoxy-N-methyl-benzamide 5-[[4-[(2,6-dimethylphenyl)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) 4.00 4.63 -20.47 3 9 0 131 503.602 8 ↓
    Hi High (pH 8-9.5) 4.00 4.69 -48.67 2 9 -1 133 502.594 8 ↓
    Hi High (pH 8-9.5) 4.00 4.71 -43.77 2 9 -1 133 502.594 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[[4-[(4-fluorophenyl)sulfamoyl]phenyl]sulfamoyl]-2-methoxy-N-methyl-benzamide 5-[[4-[(4-fluorophenyl)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) 3.36 3.07 -21.14 3 9 0 131 493.538 8 ↓
    Hi High (pH 8-9.5) 3.36 3.15 -43.53 2 9 -1 133 492.53 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[[4-[(4-chlorophenyl)sulfamoyl]phenyl]sulfamoyl]-2-methoxy-N-methyl-benzamide 5-[[4-[(4-chlorophenyl)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) 3.87 3.69 -20.99 3 9 0 131 509.993 8 ↓
    Hi High (pH 8-9.5) 3.87 3.8 -42.94 2 9 -1 133 508.985 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]sulfamoyl]-N-ethyl-2-methoxy-benzamide 5-[[4-[(2,5-dimethylphenyl)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) 4.40 5.33 -20.18 3 9 0 131 517.629 9 ↓
    Hi High (pH 8-9.5) 4.40 5.4 -44.18 2 9 -1 133 516.621 9 ↓
    Hi High (pH 8-9.5) 4.40 5.39 -49.65 2 9 -1 133 516.621 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]sulfamoyl]-2-methoxy-N-methyl-benzamide 5-[[4-[(2,5-dimethylphenyl)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) 4.02 4.51 -21.37 3 9 0 131 503.602 8 ↓
    Hi High (pH 8-9.5) 4.02 4.61 -51.92 2 9 -1 133 502.594 8 ↓
    Hi High (pH 8-9.5) 4.02 4.61 -44.18 2 9 -1 133 502.594 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]sulfamoyl]-2-methoxy-N-methyl-benzamide 5-[[4-[(2,4-dimethylphenyl)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) 4.02 4.51 -21.26 3 9 0 131 503.602 8 ↓
    Hi High (pH 8-9.5) 4.02 4.61 -51.75 2 9 -1 133 502.594 8 ↓
    Hi High (pH 8-9.5) 4.02 4.61 -44.08 2 9 -1 133 502.594 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-isopropyl-2-methoxy-5-[[4-(p-tolylsulfamoyl)phenyl]sulfamoyl]benzamide N-isopropyl-2-methoxy-5-[[4-(p-t…

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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) 4.32 5.32 -20.21 3 9 0 131 517.629 9 ↓
    Hi High (pH 8-9.5) 4.32 5.39 -50.88 2 9 -1 133 516.621 9 ↓
    Hi High (pH 8-9.5) 4.32 5.4 -44 2 9 -1 133 516.621 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-ethyl-2-methoxy-5-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzamide N-ethyl-2-methoxy-5-[[4-[(4-meth…

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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 3.13 -21.45 3 10 0 140 519.601 10 ↓
    Hi High (pH 8-9.5) 3.63 3.21 -44.22 2 10 -1 142 518.593 10 ↓
    Hi High (pH 8-9.5) 3.63 3.2 -49.92 2 10 -1 142 518.593 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-ethyl-2-methoxy-5-[[4-(o-tolylsulfamoyl)phenyl]sulfamoyl]benzamide N-ethyl-2-methoxy-5-[[4-(o-tolyl…

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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) 3.97 4.69 -20.83 3 9 0 131 503.602 9 ↓
    Hi High (pH 8-9.5) 3.97 4.79 -43.74 2 9 -1 133 502.594 9 ↓
    Hi High (pH 8-9.5) 3.97 4.78 -51.01 2 9 -1 133 502.594 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-isopropyl-2-methoxy-5-[[4-(o-tolylsulfamoyl)phenyl]sulfamoyl]benzamide N-isopropyl-2-methoxy-5-[[4-(o-t…

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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) 4.27 5.5 -20.69 3 9 0 131 517.629 9 ↓
    Hi High (pH 8-9.5) 4.27 5.59 -50.83 2 9 -1 133 516.621 9 ↓
    Hi High (pH 8-9.5) 4.27 5.59 -43.93 2 9 -1 133 516.621 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methoxy-N-methyl-5-[[4-(phenylsulfamoyl)phenyl]sulfamoyl]benzamide 2-methoxy-N-methyl-5-[[4-(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) 3.20 3 -20.92 3 9 0 131 475.548 8 ↓
    Hi High (pH 8-9.5) 3.20 3.08 -44.11 2 9 -1 133 474.54 8 ↓
    Hi High (pH 8-9.5) 3.20 3.07 -51.03 2 9 -1 133 474.54 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methoxy-N-methyl-5-[[4-(m-tolylsulfamoyl)phenyl]sulfamoyl]benzamide 2-methoxy-N-methyl-5-[[4-(m-toly…

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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) 3.62 3.79 -20.6 3 9 0 131 489.575 8 ↓
    Hi High (pH 8-9.5) 3.62 3.86 -51 2 9 -1 133 488.567 8 ↓
    Hi High (pH 8-9.5) 3.62 3.86 -44.34 2 9 -1 133 488.567 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-ethyl-2-methoxy-5-[[4-(p-tolylsulfamoyl)phenyl]sulfamoyl]benzamide N-ethyl-2-methoxy-5-[[4-(p-tolyl…

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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) 4.02 4.52 -20.25 3 9 0 131 503.602 9 ↓
    Hi High (pH 8-9.5) 4.02 4.6 -43.88 2 9 -1 133 502.594 9 ↓
    Hi High (pH 8-9.5) 4.02 4.59 -50.77 2 9 -1 133 502.594 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[[4-[(2-chlorophenyl)sulfamoyl]phenyl]sulfamoyl]-2-methoxy-N-methyl-benzamide 5-[[4-[(2-chlorophenyl)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) 3.83 3.64 -20.94 3 9 0 131 509.993 8 ↓
    Hi High (pH 8-9.5) 3.83 3.74 -42.93 2 9 -1 133 508.985 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-nitro-N-{4-[(4-methoxyanilino)sulfonyl]phenyl}benzenesulfonamide 2-nitro-N-{4-[(4-methoxyanilino)…

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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) 3.44 -7.08 -20.31 2 10 0 147 463.493 8 ↓
    Hi High (pH 8-9.5) 3.44 -6.5 -49.66 1 10 -1 149 462.485 8 ↓
    Hi High (pH 8-9.5) 3.44 -6.58 -52.3 1 10 -1 149 462.485 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-{4-[(3-chloro-2-methylanilino)sulfonyl]phenyl}-2-nitrobenzenesulfonamide N-{4-[(3-chloro-2-methylanilino)…

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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) 4.41 -6.5 -20.45 2 9 0 138 481.939 7 ↓
    Hi High (pH 8-9.5) 4.41 -5.99 -52.65 1 9 -1 140 480.931 7 ↓
    Hi High (pH 8-9.5) 4.41 6.74 -99.35 0 9 -2 142 479.923 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzenesulfonamide 4-[(4-bromophenyl)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) 4.96 5.42 -40.3 1 6 -1 94 500.803 6 ↓
    Hi High (pH 8-9.5) 4.96 5.54 -94.29 0 6 -2 96 499.795 6 ↓
    Mid Mid (pH 6-8) 4.96 5.5 -42.86 1 6 -1 94 500.803 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-chlorophenyl)-4-[(4-fluorophenyl)sulfonylamino]benzenesulfonamide N-(4-chlorophenyl)-4-[(4-fluorop…

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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) 4.31 4.95 -43.21 1 6 -1 94 439.897 6 ↓
    Hi High (pH 8-9.5) 4.31 4.98 -93.89 0 6 -2 96 438.889 6 ↓
    Mid Mid (pH 6-8) 4.31 4.86 -40.07 1 6 -1 94 439.897 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-methoxy-benzenesulfonamide N-[4-[(4-chlorophenyl)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) 4.20 4.09 -43.41 1 7 -1 104 451.933 7 ↓
    Hi High (pH 8-9.5) 4.20 4.21 -98.68 0 7 -2 106 450.925 7 ↓
    Mid Mid (pH 6-8) 4.20 4.09 -45.16 1 7 -1 104 451.933 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-nitro-benzenesulfonamide N-[4-[(4-chlorophenyl)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) 4.08 5.51 -44.17 1 9 -1 140 466.904 7 ↓
    Mid Mid (pH 6-8) 4.08 5.51 -52.56 1 9 -1 140 466.904 7 ↓
    Mid Mid (pH 6-8) 4.08 5.63 -97.84 0 9 -2 142 465.896 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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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) 6.27 7.26 -13.08 2 6 0 92 499.441 7 ↓
    Hi High (pH 8-9.5) 6.27 7.36 -42.59 1 6 -1 94 498.433 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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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) 6.62 8.33 -13.19 2 6 0 92 513.468 9 ↓
    Hi High (pH 8-9.5) 6.62 8.43 -42.66 1 6 -1 94 512.46 9 ↓

    Analogs

    21791381
    21791381
    1145647
    1145647

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(4-bromophenyl)sulfonylamino]-N-(o-tolyl)benzenesulfonamide 4-[(4-bromophenyl)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) 4.68 5.59 -13.38 2 6 0 92 481.393 6 ↓
    Hi High (pH 8-9.5) 4.68 5.66 -43.18 1 6 -1 94 480.385 6 ↓
    Hi High (pH 8-9.5) 4.68 5.66 -40.05 1 6 -1 94 480.385 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(4-nitrophenyl)sulfonylamino]-N-(o-tolyl)benzenesulfonamide 4-[(4-nitrophenyl)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) 3.83 5.82 -38.66 1 9 -1 140 446.486 7 ↓
    Hi High (pH 8-9.5) 3.83 5.88 -95.86 0 9 -2 142 445.478 7 ↓
    Lo Low (pH 4.5-6) 3.83 5.81 -15.56 2 9 0 138 447.494 7 ↓

    Analogs

    32201749
    32201749
    32205463
    32205463

    Draw Identity 99% 90% 80% 70%


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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) 4.78 6.41 -13.87 2 6 0 92 430.551 7 ↓
    Hi High (pH 8-9.5) 4.78 6.48 -44.99 1 6 -1 94 429.543 7 ↓
    Hi High (pH 8-9.5) 4.78 6.48 -44.26 1 6 -1 94 429.543 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(3-nitrophenyl)sulfonylamino]-N-(o-tolyl)benzenesulfonamide 4-[(3-nitrophenyl)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) 3.80 5.82 -45.11 1 9 -1 140 446.486 7 ↓
    Hi High (pH 8-9.5) 3.80 5.88 -104.19 0 9 -2 142 445.478 7 ↓
    Lo Low (pH 4.5-6) 3.80 5.81 -17.85 2 9 0 138 447.494 7 ↓

    Analogs

    55667947
    55667947
    251239
    251239

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-[[4-(o-tolylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide N-[4-[[4-(o-tolylsulfamoyl)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) 3.09 4.02 -53.45 2 8 -1 124 458.541 7 ↓
    Hi High (pH 8-9.5) 3.09 4.06 -112.98 1 8 -2 126 457.533 7 ↓
    Mid Mid (pH 6-8) 3.09 4.02 -53.05 2 8 -1 124 458.541 7 ↓

    Analogs

    12482645
    12482645

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide 4-[(4-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) 5.35 7.07 -13.66 2 6 0 92 464.996 6 ↓
    Hi High (pH 8-9.5) 5.35 7.13 -43.75 1 6 -1 94 463.988 6 ↓
    Hi High (pH 8-9.5) 5.35 7.17 -38.89 1 6 -1 94 463.988 6 ↓

    Analogs

    55667947
    55667947
    673951
    673951
    143132
    143132

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-[[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide N-[4-[[4-[(2,4,6-trimethylphenyl…

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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) 3.89 5.46 -21.31 3 8 0 121 487.603 7 ↓
    Hi High (pH 8-9.5) 3.89 5.54 -53.91 2 8 -1 124 486.595 7 ↓
    Hi High (pH 8-9.5) 3.89 5.55 -50.39 2 8 -1 124 486.595 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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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) 5.04 5.47 -14.95 2 7 0 102 460.577 8 ↓
    Hi High (pH 8-9.5) 5.04 5.57 -43.87 1 7 -1 104 459.569 8 ↓
    Hi High (pH 8-9.5) 5.04 5.54 -45.81 1 7 -1 104 459.569 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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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) 4.83 6.22 -14.95 2 7 0 102 474.604 9 ↓
    Hi High (pH 8-9.5) 4.83 6.33 -43.94 1 7 -1 104 473.596 9 ↓
    Hi High (pH 8-9.5) 4.83 6.29 -45.66 1 7 -1 104 473.596 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-4-methyl-benzenesulfonamide N-[4-[(3,5-dichlorophenyl)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) 5.20 5.98 -41.74 1 6 -1 94 470.379 6 ↓
    Hi High (pH 8-9.5) 5.20 6.1 -98.98 0 6 -2 96 469.371 6 ↓
    Lo Low (pH 4.5-6) 5.20 5.84 -13.9 2 6 0 92 471.387 6 ↓

    Analogs

    271993
    271993

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3,5-dichlorophenyl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide N-(3,5-dichlorophenyl)-4-[(4-nit…

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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) 4.71 6.1 -43.7 1 9 -1 140 501.349 7 ↓
    Mid Mid (pH 6-8) 4.71 6.14 -87.59 0 9 -2 142 500.341 7 ↓
    Mid Mid (pH 6-8) 4.71 6.01 -36.51 1 9 -1 140 501.349 7 ↓

    Analogs

    26527949
    26527949

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-4-ethoxy-benzenesulfonamide N-[4-[(3,5-dichlorophenyl)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) 5.19 5.53 -41.4 1 7 -1 104 500.405 8 ↓
    Hi High (pH 8-9.5) 5.19 5.65 -96.34 0 7 -2 106 499.397 8 ↓
    Lo Low (pH 4.5-6) 5.19 5.54 -13.77 2 7 0 102 501.413 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3,4-dimethoxy-benzenesulfonamide N-[4-[(3,5-dichlorophenyl)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) 4.40 4.51 -42.84 1 8 -1 113 516.404 8 ↓
    Hi High (pH 8-9.5) 4.40 4.63 -97.12 0 8 -2 115 515.396 8 ↓
    Lo Low (pH 4.5-6) 4.40 4.52 -15.56 2 8 0 111 517.412 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-nitro-benzenesulfonamide N-[4-[(3,5-dichlorophenyl)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) 4.69 6.02 -50.9 1 9 -1 140 501.349 7 ↓
    Mid Mid (pH 6-8) 4.69 6.14 -95.95 0 9 -2 142 500.341 7 ↓
    Mid Mid (pH 6-8) 4.69 6.01 -43.69 1 9 -1 140 501.349 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-nitro-benzenesulfonamide N-[4-[(3,5-dichlorophenyl)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) 4.66 6.23 -18.99 2 9 0 138 502.357 7 ↓
    Hi High (pH 8-9.5) 4.66 6.32 -50.59 1 9 -1 140 501.349 7 ↓
    Mid Mid (pH 6-8) 4.66 6.53 -96.73 0 9 -2 142 500.341 7 ↓

    Analogs

    1149920
    1149920

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-[[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide N-[4-[[4-[(3,5-dichlorophenyl)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) 3.97 4.31 -46.15 2 8 -1 124 513.404 7 ↓
    Hi High (pH 8-9.5) 3.97 4.33 -104.55 1 8 -2 126 512.396 7 ↓
    Lo Low (pH 4.5-6) 3.97 4.28 -18.24 3 8 0 121 514.412 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2,4,6-trimethyl-benzenesulfonamide N-[4-[(3,5-dichlorophenyl)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) 5.96 7.04 -42.01 1 6 -1 94 498.433 6 ↓
    Lo Low (pH 4.5-6) 5.96 6.88 -12.94 2 6 0 92 499.441 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2,5-dimethylphenyl)-4-[(2-nitrophenyl)sulfonylamino]benzenesulfonamide N-(2,5-dimethylphenyl)-4-[(2-nit…

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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) 4.21 -6.01 -20.34 2 9 0 138 461.521 7 ↓
    Hi High (pH 8-9.5) 4.21 -5.55 -50.25 1 9 -1 140 460.513 7 ↓
    Hi High (pH 8-9.5) 4.21 -5.51 -53.45 1 9 -1 140 460.513 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2,5-dimethoxyphenyl)-4-[(2-nitrophenyl)sulfonylamino]benzenesulfonamide N-(2,5-dimethoxyphenyl)-4-[(2-ni…

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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) 3.42 -6.73 -22.17 2 11 0 156 493.519 9 ↓
    Hi High (pH 8-9.5) 3.42 -6.19 -55.64 1 11 -1 158 492.511 9 ↓
    Hi High (pH 8-9.5) 3.42 -6.23 -56.1 1 11 -1 158 492.511 9 ↓

    Parameters Provided:

    ring.id = 122379
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 = 122379 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=122379&filter.purchasability=annotated

    Embed Link to Results

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