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

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,5-difluoro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]benzenesulfonamide 2,5-difluoro-N-[4-[(4-fluorophen…

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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 4.6 -15.99 2 6 0 92 442.44 6 ↓
    Hi High (pH 8-9.5) 3.89 4.67 -44.24 1 6 -1 94 441.432 6 ↓

    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) 3.88 -6.77 -17.1 2 9 0 138 447.494 7 ↓
    Hi High (pH 8-9.5) 3.88 -6.19 -47.23 1 9 -1 140 446.486 7 ↓
    Hi High (pH 8-9.5) 3.88 -6.19 -38.34 1 9 -1 140 446.486 7 ↓

    Analogs

    32153232
    32153232
    36283851
    36283851
    1200612
    1200612

    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) 4.83 6.46 -15.3 2 6 0 92 430.551 7 ↓
    Hi High (pH 8-9.5) 4.83 6.56 -47.39 1 6 -1 94 429.543 7 ↓
    Hi High (pH 8-9.5) 4.83 6.55 -47.31 1 6 -1 94 429.543 7 ↓

    Analogs

    20432210
    20432210

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,4-dimethyl-N-[4-(p-tolylsulfonylamino)phenyl]benzenesulfonamide 3,4-dimethyl-N-[4-(p-tolylsulfon…

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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) 4.74 6.24 -48.58 1 6 -1 94 429.543 6 ↓
    Hi High (pH 8-9.5) 4.74 6.27 -121.31 0 6 -2 96 428.535 6 ↓
    Mid Mid (pH 6-8) 4.74 6.15 -49.19 1 6 -1 94 429.543 6 ↓

    Analogs

    14256951
    14256951

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,5-dimethyl-N-[4-(p-tolylsulfonylamino)phenyl]benzenesulfonamide 2,5-dimethyl-N-[4-(p-tolylsulfon…

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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) 4.74 6.11 -51.36 1 6 -1 94 429.543 6 ↓
    Hi High (pH 8-9.5) 4.74 6.53 -120.23 0 6 -2 96 428.535 6 ↓
    Mid Mid (pH 6-8) 4.74 6.41 -48.12 1 6 -1 94 429.543 6 ↓

    Analogs

    20432042
    20432042
    36283947
    36283947
    1200767
    1200767
    3077732
    3077732

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,4-dimethyl-N-[4-(p-tolylsulfonylamino)phenyl]benzenesulfonamide 2,4-dimethyl-N-[4-(p-tolylsulfon…

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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) 4.74 6.11 -51.26 1 6 -1 94 429.543 6 ↓
    Hi High (pH 8-9.5) 4.74 6.52 -119.63 0 6 -2 96 428.535 6 ↓
    Mid Mid (pH 6-8) 4.74 6.4 -47.61 1 6 -1 94 429.543 6 ↓

    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) 4.17 5.09 -44.4 1 6 -1 94 437.469 6 ↓
    Hi High (pH 8-9.5) 4.17 5.21 -114.71 0 6 -2 96 436.461 6 ↓
    Mid Mid (pH 6-8) 4.17 5.1 -13.76 2 6 0 92 438.477 6 ↓

    Analogs

    34653642
    34653642

    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) 4.17 5.09 -47.25 1 6 -1 94 437.469 6 ↓
    Hi High (pH 8-9.5) 4.17 5.21 -118.11 0 6 -2 96 436.461 6 ↓
    Lo Low (pH 4.5-6) 4.17 5.1 -14.58 2 6 0 92 438.477 6 ↓

    Analogs

    34653646
    34653646

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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) 4.17 5.08 -40.02 1 6 -1 94 437.469 6 ↓
    Hi High (pH 8-9.5) 4.17 5.2 -108.55 0 6 -2 96 436.461 6 ↓
    Mid Mid (pH 6-8) 4.17 5.12 -13.76 2 6 0 92 438.477 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-N-[4-[(2-nitrophenyl)sulfonylamino]phenyl]benzenesulfonamide 4-methyl-N-[4-[(2-nitrophenyl)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) 3.83 6.41 -56.15 1 9 -1 140 446.486 7 ↓
    Hi High (pH 8-9.5) 3.83 6.51 -130.98 0 9 -2 142 445.478 7 ↓

    Parameters Provided:

    ring.id = 137726
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 = 137726 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=137726&filter.purchasability=annotated

    Embed Link to Results

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