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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: 4-methyl-N-[(1-methyl-4-piperidylidene)amino]benzenesulfonamide 4-methyl-N-[(1-methyl-4-piperidy…

    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) 1.80 2.42 -9.88 1 5 0 62 281.381 3 ↓
    Hi High (pH 8-9.5) 1.80 2.66 -50.22 0 5 -1 64 280.373 3 ↓
    Mid Mid (pH 6-8) 1.80 5.02 -59.3 1 5 0 65 281.381 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1-methyl-4-piperidylidene)amino]benzenesulfonamide N-[(1-methyl-4-piperidylidene)am…

    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) 1.35 1.75 -10.04 1 5 0 62 267.354 3 ↓
    Hi High (pH 8-9.5) 1.35 1.99 -50.15 0 5 -1 64 266.346 3 ↓
    Mid Mid (pH 6-8) 1.35 4.1 -49.08 2 5 1 63 268.362 3 ↓

    Analogs

    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) 2.23 3.28 -9.75 1 5 0 62 295.408 5 ↓
    Hi High (pH 8-9.5) 2.23 3.52 -49.91 0 5 -1 64 294.4 5 ↓
    Mid Mid (pH 6-8) 2.23 5.73 -56.72 1 5 0 65 295.408 5 ↓

    Analogs

    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) 2.17 3.21 -9.71 1 5 0 62 295.408 4 ↓
    Hi High (pH 8-9.5) 2.17 3.45 -50.06 0 5 -1 64 294.4 4 ↓
    Mid Mid (pH 6-8) 2.17 5.67 -56.7 1 5 0 65 295.408 4 ↓

    Analogs

    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) 2.68 3.96 -9.63 1 5 0 62 309.435 5 ↓
    Hi High (pH 8-9.5) 2.68 4.2 -49.94 0 5 -1 64 308.427 5 ↓
    Mid Mid (pH 6-8) 2.68 6.41 -56.66 1 5 0 65 309.435 5 ↓

    Analogs

    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) 2.47 3.78 -9.57 1 5 0 62 309.435 4 ↓
    Hi High (pH 8-9.5) 2.47 4.03 -50.37 0 5 -1 64 308.427 4 ↓
    Mid Mid (pH 6-8) 2.47 6.19 -54.47 1 5 0 65 309.435 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1-ethyl-4-piperidylidene)amino]-4-methyl-3-nitro-benzenesulfonamide N-[(1-ethyl-4-piperidylidene)ami…

    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) 2.06 6.33 -55.99 1 8 0 111 340.405 5 ↓
    Hi High (pH 8-9.5) 2.06 3.87 -12.04 1 8 0 108 340.405 5 ↓
    Hi High (pH 8-9.5) 2.06 4.11 -47.31 0 8 -1 110 339.397 5 ↓

    Parameters Provided:

    ring.id = 159523
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 = 159523 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=159523&filter.purchasability=annotated

    Embed Link to Results

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