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

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    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) 4.93 12.21 -17.87 0 6 0 63 479.58 6 ↓

    Analogs

    6283960
    6283960
    16568293
    16568293
    21662823
    21662823
    21662829
    21662829
    34863800
    34863800

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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) 6.19 -1.43 -11.47 1 0 0 36 455.989 4 ↓

    Analogs

    16568259
    16568259

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2,4-dichlorophenyl)-3-methyl-4-[(4-phenylpiperazin-1-yl)carbonyl]quinoline 2-(2,4-dichlorophenyl)-3-methyl-…

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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) 6.28 -1.86 -9.45 0 4 0 36 476.407 3 ↓

    Analogs

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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) 6.56 -2.22 -10.29 0 4 0 36 496.825 3 ↓

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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) 6.10 -0.76 -11.18 0 4 0 36 455.989 3 ↓

    Analogs

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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) 6.21 -1.16 -9.26 0 4 0 36 500.44 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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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) 6.06 -2.67 -9.56 0 4 0 36 506.831 3 ↓

    Analogs

    16568320
    16568320
    16568323
    16568323

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-methylphenyl)-4-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)quinoline 2-(2-methylphenyl)-4-({4-[3-(tri…

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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) 5.89 1.24 -11.22 0 4 0 36 475.514 4 ↓

    Analogs

    4213440
    4213440

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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) 6.08 -0.7 -13.48 0 5 0 45 486.015 5 ↓

    Analogs

    649320
    649320

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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) 6.49 0.13 -11.31 0 4 0 36 467.588 4 ↓

    Analogs

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    Popular Name: 6-bromo-2-(4-butylphenyl)-4-{[4-(4-chlorophenyl)-1-piperazinyl]carbonyl}quinoline 6-bromo-2-(4-butylphenyl)-4-{[4-…

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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) 7.95 -1.91 -10.03 0 4 0 36 562.939 6 ↓

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    Popular Name: 6-bromo-2-(4-butylphenyl)-4-{[4-(4-fluorophenyl)-1-piperazinyl]carbonyl}quinoline 6-bromo-2-(4-butylphenyl)-4-{[4-…

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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) 7.43 -1.03 -10.75 0 4 0 36 546.484 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-bromo-2-(4-butylphenyl)-4-{[4-(2-fluorophenyl)-1-piperazinyl]carbonyl}quinoline 6-bromo-2-(4-butylphenyl)-4-{[4-…

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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) 7.38 -1.26 -10.66 0 4 0 36 546.484 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-bromo-4-{[4-(3,5-dimethylphenyl)-1-piperazinyl]carbonyl}-2-(4-ethoxyphenyl)quinoline 6-bromo-4-{[4-(3,5-dimethylpheny…

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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) 6.66 -1.83 -11.57 0 5 0 45 544.493 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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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) 7.27 -1.77 -9.76 0 4 0 36 528.494 6 ↓

    Analogs

    16568316
    16568316

    Draw Identity 99% 90% 80% 70%

    Popular Name: [2-(3,4-dimethoxyphenyl)-4-quinolyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone [2-(3,4-dimethoxyphenyl)-4-quino…

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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) 4.00 9.43 -15.08 1 7 0 75 469.541 5 ↓

    Parameters Provided:

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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 = 114045 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=114045&filter.purchasability=annotated

    Embed Link to Results

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