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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    Analogs

    43454062
    43454062
    43454135
    43454135

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(2-methoxyphenyl)ethyl]-N-methyl-4-phenoxy-butanamide N-[2-(2-methoxyphenyl)ethyl]-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) 3.70 9.95 -12.91 0 4 0 39 327.424 9 ↓

    Analogs

    43454079
    43454079

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenyl)ethyl]butanamide 4-(2-ethoxyphenoxy)-N-[2-(2-meth…

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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) 3.44 8.67 -18.99 1 5 0 57 357.45 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(3-methylphenoxy)butanamide N-[(2R)-2-(dimethylamino)-2-(4-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) 3.73 9.55 -47.93 2 5 1 52 371.501 10 ↓
    Mid Mid (pH 6-8) 3.73 7 -12.48 1 5 0 51 370.493 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-4-(3-methylphenoxy)butanamide N-[(2S)-2-(dimethylamino)-2-(4-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) 3.73 9.56 -48.66 2 5 1 52 371.501 10 ↓
    Mid Mid (pH 6-8) 3.73 7.03 -12.77 1 5 0 51 370.493 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-phenoxy-butanamide N-[(2R)-2-(dimethylamino)-2-(3-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) 3.29 8.87 -45.51 2 5 1 52 357.474 10 ↓
    Mid Mid (pH 6-8) 3.29 6.99 -13.18 1 5 0 51 356.466 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-phenoxy-butanamide N-[(2S)-2-(dimethylamino)-2-(3-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) 3.29 8.89 -46.12 2 5 1 52 357.474 10 ↓
    Mid Mid (pH 6-8) 3.29 6.35 -12.1 1 5 0 51 356.466 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

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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) 3.16 10.93 -23.41 1 7 0 91 427.497 13 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

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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) 3.16 10.92 -23.42 1 7 0 91 427.497 13 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2-chlorophenoxy)-N-[2-(m-tolyl)ethyl]butanamide 4-(2-chlorophenoxy)-N-[2-(m-toly…

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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) 4.50 9.69 -14.62 1 3 0 38 331.843 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(4-methylsulfonylphenoxy)-N-[2-(m-tolyl)ethyl]butanamide 4-(4-methylsulfonylphenoxy)-N-[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) 2.74 6.68 -20.78 1 5 0 72 375.49 9 ↓

    Analogs

    2609593
    2609593
    5756301
    5756301

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2,3-dimethylphenoxy)-N-homoveratryl-butyramide 4-(2,3-dimethylphenoxy)-N-homove…

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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 8.97 -17.29 1 5 0 57 371.477 10 ↓

    Analogs

    5756301
    5756301

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(2,4-dimethylphenoxy)-N-homoveratryl-butyramide 4-(2,4-dimethylphenoxy)-N-homove…

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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) 3.92 0.55 -17.13 1 5 0 56 371.477 10 ↓

    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) 4.15 0.08 -16.77 1 5 0 56 391.895 10 ↓

    Analogs

    14564258
    14564258

    Draw Identity 99% 90% 80% 70%

    Popular Name: phenylalanine, N-[4-(2,4-dichlorophenoxy)-1-oxobutyl]-, ethyl ester phenylalanine, N-[4-(2,4-dichlor…

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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) 4.96 11.66 -16.09 1 5 0 65 424.324 11 ↓

    Analogs

    14564256
    14564256

    Draw Identity 99% 90% 80% 70%

    Popular Name: phenylalanine, N-[4-(2,4-dichlorophenoxy)-1-oxobutyl]-, ethyl ester phenylalanine, N-[4-(2,4-dichlor…

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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) 4.96 11.66 -16.09 1 5 0 65 424.324 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(3-bromophenoxy)-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]butanamide 4-(3-bromophenoxy)-N-[(2R)-2-(di…

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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) 4.05 9.9 -48.9 2 5 1 52 436.37 10 ↓
    Mid Mid (pH 6-8) 4.05 7.68 -13.3 1 5 0 51 435.362 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(3-bromophenoxy)-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]butanamide 4-(3-bromophenoxy)-N-[(2S)-2-(di…

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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) 4.05 9.91 -47.79 2 5 1 52 436.37 10 ↓
    Mid Mid (pH 6-8) 4.05 7.25 -11.57 1 5 0 51 435.362 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(3-bromophenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]butanamide 4-(3-bromophenoxy)-N-[(2R)-2-(di…

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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) 4.18 10.27 -49.12 2 4 1 43 424.334 9 ↓
    Mid Mid (pH 6-8) 4.18 7.74 -13.53 1 4 0 42 423.326 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(3-bromophenoxy)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]butanamide 4-(3-bromophenoxy)-N-[(2S)-2-(di…

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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) 4.18 10.28 -49.64 2 4 1 43 424.334 9 ↓
    Mid Mid (pH 6-8) 4.18 7.84 -11.6 1 4 0 42 423.326 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(3-bromophenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide 4-(3-bromophenoxy)-N-[(2R)-2-(di…

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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) 4.07 9.5 -46.55 2 5 1 52 436.37 10 ↓
    Mid Mid (pH 6-8) 4.07 7.62 -13.87 1 5 0 51 435.362 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(3-bromophenoxy)-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]butanamide 4-(3-bromophenoxy)-N-[(2S)-2-(di…

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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) 4.07 9.51 -47.09 2 5 1 52 436.37 10 ↓
    Mid Mid (pH 6-8) 4.07 6.97 -12.67 1 5 0 51 435.362 10 ↓

    Parameters Provided:

    ring.id = 46147
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 = 46147 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=46147&filter.purchasability=annotated

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