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

    Draw Identity 99% 90% 80% 70%


    Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

    Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

    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) 2.36 -1.17 -37.98 1 4 1 37 320.775 2 ↓

    Analogs

    33973767
    33973767

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-isopropoxyphenyl)-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methanone (4-isopropoxyphenyl)-[4-[5-(trif…

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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 8.65 -9.95 0 5 0 46 393.409 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-isopropylphenyl)-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methanone (4-isopropylphenyl)-[4-[5-(trifl…

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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) 4.01 9.73 -10.8 0 4 0 36 377.41 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(3-amino-2-pyridyl)piperazin-1-yl]-phenyl-methanone [4-(3-amino-2-pyridyl)piperazin-…

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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) 1.03 6.42 -37.39 3 5 1 64 283.355 2 ↓
    Mid Mid (pH 6-8) 1.03 5.97 -9.96 2 5 0 62 282.347 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [5-methylsulfonyl-2-[(1S)-2,2,2-trifluoro-1-methyl-ethoxy]phenyl]-[4-[3-methyl-5-(trifluoromethyl)-2 [5-methylsulfonyl-2-[(1S)-2,2,2-…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    SC6A9-1-E Glycine Transporter 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 80 0.28 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    SC6A9_HUMAN P48067 Glycine Transporter 1, Human 80 0.28 Binding ≤ 1μM
    SC6A9_HUMAN P48067 Glycine Transporter 1, Human 80 0.28 Binding ≤ 10μM

    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) 3.56 8.83 -23.15 0 7 0 80 539.498 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [5-methylsulfonyl-2-[(1R)-2,2,2-trifluoro-1-methyl-ethoxy]phenyl]-[4-[3-methyl-5-(trifluoromethyl)-2 [5-methylsulfonyl-2-[(1R)-2,2,2-…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    SC6A9-1-E Glycine Transporter 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 80 0.28 Binding ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    SC6A9_HUMAN P48067 Glycine Transporter 1, Human 80 0.28 Binding ≤ 1μM
    SC6A9_HUMAN P48067 Glycine Transporter 1, Human 80 0.28 Binding ≤ 10μM

    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) 3.56 8.77 -22.18 0 7 0 80 539.498 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3-allyl-4,5-dimethoxy-phenyl)-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methanone (3-allyl-4,5-dimethoxy-phenyl)-[…

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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) 3.09 9.09 -12.14 0 6 0 55 435.446 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile 6-[4-(2,4-dimethoxybenzoyl)piper…

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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) 1.94 7.32 -16.38 0 7 0 79 352.394 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-(3-fluoro-4-methyl-benzoyl)piperazin-1-yl]pyridine-4-carboxamide 2-[4-(3-fluoro-4-methyl-benzoyl)…

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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) 0.90 5.42 -16.43 2 6 0 80 342.374 3 ↓
    Lo Low (pH 4.5-6) 0.90 5.75 -52.07 3 6 1 81 343.382 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-(4-ethylbenzoyl)piperazin-1-yl]pyridine-4-carboxamide 2-[4-(4-ethylbenzoyl)piperazin-1…

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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) 1.28 6.14 -14.77 2 6 0 80 338.411 4 ↓
    Lo Low (pH 4.5-6) 1.28 6.48 -48.58 3 6 1 81 339.419 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3-methoxy-4-methyl-phenyl)-[4-(5-nitro-2-pyridyl)piperazin-1-yl]methanone (3-methoxy-4-methyl-phenyl)-[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) 2.16 8.67 -15.05 0 8 0 91 356.382 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(2-pyridyl)piperazin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone [4-(2-pyridyl)piperazin-1-yl]-[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) 5.58 8.35 -36.99 1 4 1 38 368.404 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-bromo-2-fluoro-phenyl)-[4-(2-pyridyl)piperazin-1-yl]methanone (4-bromo-2-fluoro-phenyl)-[4-(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) 2.50 7.65 -38.97 1 4 1 38 365.226 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [2-(difluoromethoxy)phenyl]-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methanone [2-(difluoromethoxy)phenyl]-[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) 3.61 8.32 -15.56 0 5 0 46 401.335 5 ↓

    Analogs

    14234808
    14234808

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-sec-butyl-4-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]benzenesulfonamide N-sec-butyl-4-[4-[5-(trifluorome…

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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) 2.77 6.3 -16.56 1 7 0 83 470.517 7 ↓

    Analogs

    14234804
    14234804

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-sec-butyl-4-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]benzenesulfonamide N-sec-butyl-4-[4-[5-(trifluorome…

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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) 2.77 6.35 -17.85 1 7 0 83 470.517 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]phenyl]methanesulfonamide N-[2-[4-[5-(trifluoromethyl)-2-p…

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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) 1.68 5.89 -47.27 0 7 -1 85 427.428 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-chloro-N-isopropyl-3-[4-(2-pyridyl)piperazine-1-carbonyl]benzenesulfonamide 4-chloro-N-isopropyl-3-[4-(2-pyr…

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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) 1.94 6.44 -39.28 2 7 1 84 423.946 5 ↓
    Mid Mid (pH 6-8) 1.94 6.19 -13.89 1 7 0 83 422.938 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-bromo-3-[4-(2-pyridyl)piperazine-1-carbonyl]benzenesulfonamide 4-bromo-3-[4-(2-pyridyl)piperazi…

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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) 1.02 3.87 -46.26 3 7 1 98 426.316 3 ↓
    Mid Mid (pH 6-8) 1.02 3.55 -18.07 2 7 0 97 425.308 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-[4-(3-cyano-2-pyridyl)piperazine-1-carbonyl]phenoxy]acetamide 2-[4-[4-(3-cyano-2-pyridyl)piper…

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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) 0.09 5.76 -21.25 2 8 0 113 365.393 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[3-[4-(5-cyano-2-pyridyl)piperazine-1-carbonyl]anilino]acetic 2-[3-[4-(5-cyano-2-pyridyl)piper…

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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) -0.48 7.95 -52.39 1 8 -1 112 364.385 5 ↓
    Lo Low (pH 4.5-6) -0.48 5.96 -19.38 2 8 0 110 365.393 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-[4-[ethyl(methyl)amino]benzoyl]piperazin-1-yl]pyridine-4-carbonitrile 2-[4-[4-[ethyl(methyl)amino]benz…

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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) 1.78 9.69 -12.54 0 6 0 63 349.438 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3-fluoro-4-methyl-5-nitro-phenyl)-[4-(2-pyridyl)piperazin-1-yl]methanone (3-fluoro-4-methyl-5-nitro-pheny…

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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 9.65 -40.94 1 7 1 84 345.354 3 ↓
    Mid Mid (pH 6-8) 2.02 9.32 -11.32 0 7 0 82 344.346 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-methyl-3-[4-(2-pyridyl)piperazine-1-carbonyl]benzenesulfonamide N-methyl-3-[4-(2-pyridyl)piperaz…

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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) 0.64 4.44 -48.47 2 7 1 84 361.447 4 ↓
    Mid Mid (pH 6-8) 0.64 4.11 -19.92 1 7 0 83 360.439 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-ethyl-3-[4-(2-pyridyl)piperazine-1-carbonyl]benzenesulfonamide N-ethyl-3-[4-(2-pyridyl)piperazi…

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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) 1.01 5.29 -48.12 2 7 1 84 375.474 5 ↓
    Mid Mid (pH 6-8) 1.01 4.95 -19.57 1 7 0 83 374.466 5 ↓

    Analogs

    16639031
    16639031

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-tert-butyl-4-[4-(2-pyridyl)piperazine-1-carbonyl]benzenesulfonamide N-tert-butyl-4-[4-(2-pyridyl)pip…

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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) 1.85 6.3 -41.98 2 7 1 84 403.528 5 ↓
    Mid Mid (pH 6-8) 1.85 5.96 -14.26 1 7 0 83 402.52 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-chloro-N-methyl-3-[4-(2-pyridyl)piperazine-1-carbonyl]benzenesulfonamide 4-chloro-N-methyl-3-[4-(2-pyridy…

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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) 1.27 5.03 -40.09 2 7 1 84 395.892 4 ↓
    Mid Mid (pH 6-8) 1.27 4.7 -14.6 1 7 0 83 394.884 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-isopropyl-3-[4-(2-pyridyl)piperazine-1-carbonyl]benzenesulfonamide N-isopropyl-3-[4-(2-pyridyl)pipe…

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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) 1.31 5.86 -48.11 2 7 1 84 389.501 5 ↓
    Mid Mid (pH 6-8) 1.31 5.6 -19.59 1 7 0 83 388.493 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methoxy-N-methyl-5-[4-(2-pyridyl)piperazine-1-carbonyl]benzenesulfonamide 2-methoxy-N-methyl-5-[4-(2-pyrid…

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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) 0.65 4.3 -50.89 2 8 1 93 391.473 5 ↓
    Mid Mid (pH 6-8) 0.65 3.97 -22.14 1 8 0 92 390.465 5 ↓

    Parameters Provided:

    ring.id = 4178
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 = 4178 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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  • Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245