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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: N-cycloheptyl-4-(ethylamino)-N-methyl-benzenesulfonamide N-cycloheptyl-4-(ethylamino)-N-m…

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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) 3.90 5.83 -8.39 1 4 0 49 310.463 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-cycloheptyl-N-methyl-2-(methylamino)benzenesulfonamide N-cycloheptyl-N-methyl-2-(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) 3.47 5.9 -9.06 1 4 0 49 296.436 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-cycloheptyl-2-(ethylamino)-N-methyl-benzenesulfonamide N-cycloheptyl-2-(ethylamino)-N-m…

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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 6.28 -10.35 1 4 0 49 310.463 5 ↓

    Analogs

    35633695
    35633695
    35632712
    35632712
    35632710
    35632710

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-cycloheptyl-3-[(1S)-1-(methylamino)ethyl]benzenesulfonamide N-cycloheptyl-3-[(1S)-1-(methyla…

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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) 3.51 4.88 -51.15 3 4 1 63 311.471 5 ↓
    Hi High (pH 8-9.5) 3.51 3.7 -7.36 2 4 0 58 310.463 5 ↓

    Analogs

    52212706
    52212706
    52212709
    52212709
    35632712
    35632712
    35632710
    35632710
    35633694
    35633694

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-cycloheptyl-3-[(1R)-1-(methylamino)ethyl]benzenesulfonamide N-cycloheptyl-3-[(1R)-1-(methyla…

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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) 3.51 4.81 -48.74 3 4 1 63 311.471 5 ↓
    Hi High (pH 8-9.5) 3.51 3.64 -8.2 2 4 0 58 310.463 5 ↓

    Analogs

    35633697
    35633697
    35632717
    35632717
    35632715
    35632715

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-cycloheptyl-4-[(1S)-1-(methylamino)ethyl]benzenesulfonamide N-cycloheptyl-4-[(1S)-1-(methyla…

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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) 3.53 4.88 -50.2 3 4 1 63 311.471 5 ↓
    Hi High (pH 8-9.5) 3.53 3.71 -7.34 2 4 0 58 310.463 5 ↓

    Analogs

    35632717
    35632717
    35632715
    35632715
    35633696
    35633696

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-cycloheptyl-4-[(1R)-1-(methylamino)ethyl]benzenesulfonamide N-cycloheptyl-4-[(1R)-1-(methyla…

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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) 3.53 5 -48.97 3 4 1 63 311.471 5 ↓
    Hi High (pH 8-9.5) 3.53 3.83 -8.3 2 4 0 58 310.463 5 ↓

    Analogs

    35634095
    35634095
    35634150
    35634150
    35634151
    35634151

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-cycloheptyl-4-[(1S)-1-hydroxyethyl]benzenesulfonamide N-cycloheptyl-4-[(1S)-1-hydroxye…

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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 2.75 -9.29 2 4 0 66 297.42 4 ↓

    Analogs

    35634150
    35634150
    35634151
    35634151
    35634094
    35634094

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-cycloheptyl-4-[(1R)-1-hydroxyethyl]benzenesulfonamide N-cycloheptyl-4-[(1R)-1-hydroxye…

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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 2.6 -9.41 2 4 0 66 297.42 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N1-cycloheptyl-2-fluoro-benzene-1,4-disulfonamide N1-cycloheptyl-2-fluoro-benzene-…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.20 -1.13 -13.73 3 6 0 106 350.437 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-bromo-N-cycloheptyl-4-methoxy-benzenesulfonamide 3-bromo-N-cycloheptyl-4-methoxy-…

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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 -5.23 -9.11 1 4 0 55 362.289 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(cycloheptylsulfamoyl)-N-isopropyl-2-methoxy-benzamide 5-(cycloheptylsulfamoyl)-N-isopr…

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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 4.86 -14.02 2 6 0 85 368.499 6 ↓

    Analogs

    36880197
    36880197
    37054256
    37054256
    37054628
    37054628

    Draw Identity 99% 90% 80% 70%


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    Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

    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) 4.23 -5.31 -7.08 1 3 0 46 332.263 3 ↓

    Analogs

    5940222
    5940222
    5940292
    5940292
    6707036
    6707036

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-cycloheptyl-4-methanesulfonamido-benzenesulfonamide N-cycloheptyl-4-methanesulfonami…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.65 1.08 -15.91 2 6 0 92 346.474 5 ↓
    Hi High (pH 8-9.5) 2.65 1.14 -39.92 1 6 -1 94 345.466 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-amino-N-cycloheptyl-3-fluoro-benzenesulfonamide 2-amino-N-cycloheptyl-3-fluoro-b…

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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) 2.97 2.87 -7.95 3 4 0 72 286.372 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-amino-N-cycloheptyl-3-fluoro-N-methyl-benzenesulfonamide 2-amino-N-cycloheptyl-3-fluoro-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) 3.21 4.65 -7.81 2 4 0 63 300.399 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-aminopropyl)-N-cycloheptyl-benzenesulfonamide N-(3-aminopropyl)-N-cycloheptyl-…

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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 5.05 -50.72 3 4 1 65 311.471 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[1-(aminomethyl)cycloheptyl]-2,4-difluoro-benzenesulfonamide N-[1-(aminomethyl)cycloheptyl]-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) 2.55 2.99 -58.23 4 4 1 74 319.397 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-bromo-N-cycloheptyl-4,6-difluoro-benzenesulfonamide 2-bromo-N-cycloheptyl-4,6-difluo…

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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 5.34 -6.48 1 3 0 46 368.243 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-bromo-2-chloro-N-cycloheptyl-benzenesulfonamide 4-bromo-2-chloro-N-cycloheptyl-b…

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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 5.67 -6.36 1 3 0 46 366.708 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-bromo-2,6-dichloro-N-cycloheptyl-benzenesulfonamide 4-bromo-2,6-dichloro-N-cyclohept…

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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) 5.44 6.15 -5.53 1 3 0 46 401.153 3 ↓

    Analogs

    6314679
    6314679
    6314680
    6314680
    6314947
    6314947

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-bromo-N-cycloheptyl-3-methyl-benzenesulfonamide 4-bromo-N-cycloheptyl-3-methyl-b…

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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) 4.60 5.53 -6.98 1 3 0 46 346.29 3 ↓

    Parameters Provided:

    ring.id = 14029
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 = 14029 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=14029&filter.purchasability=annotated

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    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
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