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

    Analogs

    19721118
    19721118

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(piperazine-1-carbonyl)chromen-2-one 3-(piperazine-1-carbonyl)chromen…

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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) 0.21 5.88 -66.89 2 5 1 67 259.285 1 ↓
    Mid Mid (pH 6-8) 0.21 4.51 -21.53 1 5 0 63 258.277 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[(2S,6R)-2,6-dimethylpiperazine-1-carbonyl]chromen-2-one 3-[(2S,6R)-2,6-dimethylpiperazin…

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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) 0.86 6.29 -50.99 2 5 1 67 287.339 1 ↓
    Mid Mid (pH 6-8) 0.86 4.72 -14.81 1 5 0 63 286.331 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[(2S,6S)-2,6-dimethylpiperazine-1-carbonyl]chromen-2-one 3-[(2S,6S)-2,6-dimethylpiperazin…

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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) 0.86 6.37 -44.94 2 5 1 67 287.339 1 ↓
    Mid Mid (pH 6-8) 0.86 5.05 -9.74 1 5 0 63 286.331 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[(2R,6R)-2,6-dimethylpiperazine-1-carbonyl]chromen-2-one 3-[(2R,6R)-2,6-dimethylpiperazin…

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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) 0.86 6.57 -49.1 2 5 1 67 287.339 1 ↓
    Mid Mid (pH 6-8) 0.86 5.24 -11.06 1 5 0 63 286.331 1 ↓

    Analogs

    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) 1.18 6.22 -17.12 0 5 0 54 286.331 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6,8-dichloro-3-(4-methylpiperazine-1-carbonyl)chromen-2-one 6,8-dichloro-3-(4-methylpiperazi…

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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) 2.06 6.43 -15.38 0 5 0 54 341.194 1 ↓

    Analogs

    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) 1.83 7.4 -20.92 0 6 0 63 342.395 5 ↓

    Analogs

    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) 2.23 7.37 -14.29 0 5 0 54 377.238 3 ↓

    Analogs

    4832862
    4832862

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(4-ethylpiperazine-1-carbonyl)-6-methoxy-chromen-2-one 3-(4-ethylpiperazine-1-carbonyl)…

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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) 1.21 5.5 -15.61 0 6 0 63 316.357 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 8-methoxy-3-[4-(2-methylallyl)piperazine-1-carbonyl]chromen-2-one 8-methoxy-3-[4-(2-methylallyl)pi…

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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) 2.00 7.16 -20.34 0 6 0 63 342.395 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6,8-dichloro-3-[4-(2-methylallyl)piperazine-1-carbonyl]chromen-2-one 6,8-dichloro-3-[4-(2-methylallyl…

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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) 3.25 8.47 -15 0 5 0 54 381.259 3 ↓

    Analogs

    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) 2.10 7.26 -14.44 0 5 0 54 332.787 3 ↓

    Parameters Provided:

    ring.id = 48200
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 = 48200 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=48200&filter.purchasability=annotated

    Embed Link to Results

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