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

    Analogs

    16580598
    16580598
    16580600
    16580600
    40025586
    40025586
    40025588
    40025588
    41679777
    41679777

    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) 2.02 5.53 -7.56 0 3 0 30 211.305 1 ↓

    Analogs

    16580600
    16580600
    40025586
    40025586
    40025588
    40025588
    41679819
    41679819
    41679820
    41679820

    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) 2.02 5.35 -7.67 0 3 0 30 211.305 1 ↓

    Analogs

    40025586
    40025586
    40025588
    40025588
    41679777
    41679777
    41679778
    41679778
    41679819
    41679819

    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) 2.02 5.4 -7.17 0 3 0 30 211.305 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-ethyl-3-[1-(morpholine-4-carbonyl)cyclopentyl]urea 1-ethyl-3-[1-(morpholine-4-carbo…

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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) 0.79 1.98 -18.06 2 6 0 71 269.345 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-ethyl-3-[1-[(2R)-2-methylmorpholine-4-carbonyl]cyclopentyl]urea 1-ethyl-3-[1-[(2R)-2-methylmorph…

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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) 1.15 2.72 -18.09 2 6 0 71 283.372 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-ethyl-3-[1-[(2S)-2-methylmorpholine-4-carbonyl]cyclopentyl]urea 1-ethyl-3-[1-[(2S)-2-methylmorph…

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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) 1.15 2.82 -18.2 2 6 0 71 283.372 3 ↓

    Analogs

    48425110
    48425110
    49181132
    49181132
    49181134
    49181134
    19474584
    19474584
    16580598
    16580598

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1-aminocyclopentyl)-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone (1-aminocyclopentyl)-[(6R)-2,2,6…

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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) 1.56 3.29 -49.48 3 4 1 57 241.355 1 ↓
    Mid Mid (pH 6-8) 1.56 3.12 -6.42 2 4 0 56 240.347 1 ↓

    Analogs

    48425110
    48425110
    49181132
    49181132
    49181134
    49181134
    19474584
    19474584
    16580598
    16580598

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1-aminocyclopentyl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone (1-aminocyclopentyl)-[(6S)-2,2,6…

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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) 1.56 3.19 -49.04 3 4 1 57 241.355 1 ↓
    Mid Mid (pH 6-8) 1.56 3.04 -6.2 2 4 0 56 240.347 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(6R)-2,2,6-trimethylmorpholine-4-carbonyl]cyclopentanecarbothioamide 1-[(6R)-2,2,6-trimethylmorpholin…

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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) 1.08 4.33 -5.39 2 4 0 56 284.425 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]cyclopentanecarbothioamide 1-[(6S)-2,2,6-trimethylmorpholin…

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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) 1.08 4.32 -5.27 2 4 0 56 284.425 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-hydroxy-1-[(6R)-2,2,6-trimethylmorpholine-4-carbonyl]cyclopentanecarboxamidine N'-hydroxy-1-[(6R)-2,2,6-trimeth…

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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) 1.18 1.89 -5.42 3 6 0 88 283.372 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-hydroxy-1-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]cyclopentanecarboxamidine N'-hydroxy-1-[(6S)-2,2,6-trimeth…

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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) 1.18 1.93 -5.26 3 6 0 88 283.372 2 ↓

    Analogs

    35776485
    35776485
    35776487
    35776487
    37815819
    37815819
    37815820
    37815820

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1-aminocyclopentyl)-(3,3-dimethylmorpholin-4-yl)methanone (1-aminocyclopentyl)-(3,3-dimeth…

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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) 1.20 2.2 -47.95 3 4 1 57 227.328 1 ↓
    Hi High (pH 8-9.5) 1.20 2.06 -5.71 2 4 0 56 226.32 1 ↓

    Parameters Provided:

    ring.id = 257516
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 = 257516 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=257516&filter.purchasability=annotated

    Embed Link to Results

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