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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,4-dichloro-2-methoxy-N-(1-naphthyl)benzenesulfonamide 3,4-dichloro-2-methoxy-N-(1-naph…

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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) 5.13 7.26 -9.33 1 4 0 55 382.268 4 ↓
    Mid Mid (pH 6-8) 5.13 7.8 -42.49 0 4 -1 57 381.26 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,5-dimethoxy-4-methyl-N-(1-naphthyl)benzenesulfonamide 2,5-dimethoxy-4-methyl-N-(1-naph…

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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) 4.28 6.07 -13.03 1 5 0 65 357.431 5 ↓
    Hi High (pH 8-9.5) 4.28 6.59 -54.94 0 5 -1 67 356.423 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-chloro-2,5-dimethoxy-N-(1-naphthyl)benzenesulfonamide 4-chloro-2,5-dimethoxy-N-(1-naph…

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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) 4.51 5.89 -11.66 1 5 0 65 377.849 5 ↓
    Mid Mid (pH 6-8) 4.51 6.41 -49.11 0 5 -1 67 376.841 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-fluoro-3-methylsulfonyl-N-(1-naphthyl)benzenesulfonamide 4-fluoro-3-methylsulfonyl-N-(1-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) 3.26 4.37 -51.9 0 5 -1 82 378.426 4 ↓
    Mid Mid (pH 6-8) 3.26 4.3 -16.03 1 5 0 80 379.434 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methoxy-N-methyl-5-(1-naphthylsulfamoyl)benzamide 2-methoxy-N-methyl-5-(1-naphthyl…

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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) 3.59 5.56 -15.93 2 6 0 85 370.43 5 ↓
    Hi High (pH 8-9.5) 3.59 5.65 -43.76 1 6 -1 87 369.422 5 ↓

    Analogs

    134785
    134785

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-naphthyl)-4-propyl-benzenesulfonamide N-(1-naphthyl)-4-propyl-benzenes…

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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) 5.17 8.95 -9.17 1 3 0 46 325.433 5 ↓
    Hi High (pH 8-9.5) 5.17 9.03 -44.53 0 3 -1 48 324.425 5 ↓

    Analogs

    14256999
    14256999

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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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) 5.72 9.32 -8.97 1 3 0 46 339.46 5 ↓
    Hi High (pH 8-9.5) 5.72 9.4 -44.46 0 3 -1 48 338.452 5 ↓

    Analogs

    14256998
    14256998

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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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) 5.72 9.32 -9 1 3 0 46 339.46 5 ↓
    Hi High (pH 8-9.5) 5.72 9.4 -44.58 0 3 -1 48 338.452 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,5-difluoro-N-(1-naphthyl)benzenesulfonamide 2,5-difluoro-N-(1-naphthyl)benze…

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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) 4.12 6.46 -9.68 1 3 0 46 319.332 3 ↓
    Hi High (pH 8-9.5) 4.12 6.57 -45.26 0 3 -1 48 318.324 3 ↓

    Analogs

    3403868
    3403868

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(3,4-dimethylphenyl)sulfonyl-(1-naphthyl)amino]-N-[(1S)-2-methoxy-1-methyl-ethyl]acetamide 2-[(3,4-dimethylphenyl)sulfonyl-…

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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) 4.85 -2.97 -13.54 1 6 0 75 440.565 8 ↓

    Analogs

    3403865
    3403865

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(3,4-dimethylphenyl)sulfonyl-(1-naphthyl)amino]-N-[(1R)-2-methoxy-1-methyl-ethyl]acetamide 2-[(3,4-dimethylphenyl)sulfonyl-…

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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) 4.85 -3.16 -17.96 1 6 0 75 440.565 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-hydroxy-1-naphthyl)-3,4-dimethoxy-benzenesulfonamide N-(4-hydroxy-1-naphthyl)-3,4-dim…

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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) 3.24 -4.49 -13.28 2 6 0 84 359.403 5 ↓
    Hi High (pH 8-9.5) 3.24 -3.99 -43.74 1 6 -1 86 358.395 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methyl-5-methylsulfonyl-N-(1-naphthyl)benzenesulfonamide 2-methyl-5-methylsulfonyl-N-(1-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) 3.11 5.13 -17.65 1 5 0 80 375.471 4 ↓
    Mid Mid (pH 6-8) 3.11 5.12 -55.18 0 5 -1 82 374.463 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(methanesulfonamido)-2,4,6-trimethyl-N-(1-naphthyl)benzenesulfonamide 3-(methanesulfonamido)-2,4,6-tri…

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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) 4.22 6.01 -45.19 1 6 -1 94 417.532 5 ↓
    Lo Low (pH 4.5-6) 4.22 5.8 -16.31 2 6 0 92 418.54 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methoxy-N-(1-naphthyl)-4-nitro-benzenesulfonamide 2-methoxy-N-(1-naphthyl)-4-nitro…

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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) 3.81 7.27 -44.35 0 7 -1 103 357.367 5 ↓
    Mid Mid (pH 6-8) 3.81 6.77 -11.95 1 7 0 101 358.375 5 ↓

    Analogs

    44881544
    44881544

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-hydroxy-N-(1-naphthyl)benzenesulfonamide 4-hydroxy-N-(1-naphthyl)benzenes…

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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) 3.38 3.87 -10.59 2 4 0 66 299.351 3 ↓
    Hi High (pH 8-9.5) 3.38 3.95 -47.61 1 4 -1 68 298.343 3 ↓

    Parameters Provided:

    ring.id = 101951
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 = 101951 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=101951&filter.purchasability=annotated

    Embed Link to Results

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