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

    Analogs

    34654033
    34654033
    34654088
    34654088
    34654108
    34654108
    34654219
    34654219
    34654906
    34654906

    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) 4.46 1.5 -17.32 1 4 0 49 362.404 5 ↓

    Analogs

    20224965
    20224965
    48832377
    48832377
    50008539
    50008539
    568268
    568268

    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) 4.13 1.27 -13.91 1 4 0 49 348.377 4 ↓

    Analogs

    34653581
    34653581
    34654108
    34654108

    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) 4.08 1.21 -17.63 1 4 0 49 348.377 4 ↓

    Analogs

    25473093
    25473093
    36981401
    36981401

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-benzamido-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide 4-benzamido-N-[2-(2,2,2-trifluor…

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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) 4.65 9.34 -14.97 2 5 0 67 414.383 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]-5-nitro-benzoic 3-[[4-[(4-methoxyphenyl)carbamoy…

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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) 3.57 8.1 -59.24 2 10 -1 153 434.384 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic 4-[[4-[(4-methoxyphenyl)carbamoy…

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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) 3.69 7.45 -58.89 2 7 -1 108 389.387 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[[4-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]-5-nitro-benzoic 3-[[4-[(2-methoxyphenyl)carbamoy…

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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) 3.53 8.22 -53.42 2 10 -1 153 434.384 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[4-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]benzoic 4-[[4-[(2-methoxyphenyl)carbamoy…

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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) 3.64 7.56 -57.13 2 7 -1 108 389.387 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-benzamido-N-[4-(isopropyl-methyl-sulfamoyl)phenyl]benzamide 4-benzamido-N-[4-(isopropyl-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) 3.71 7.94 -25.9 2 7 0 96 451.548 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-benzamido-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide 4-benzamido-N-[4-(2,2,2-trifluor…

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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) 4.70 9.17 -24.91 2 5 0 67 414.383 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-ethoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide 3-ethoxy-N-[4-[(2-methoxyphenyl)…

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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) 4.14 8.19 -19.12 2 6 0 77 390.439 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(3-cyanobenzoyl)amino]-N-(4-ethoxyphenyl)benzamide 4-[(3-cyanobenzoyl)amino]-N-(4-e…

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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) 3.88 9.14 -23.9 2 6 0 91 385.423 6 ↓

    Analogs

    21816184
    21816184
    21817091
    21817091

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[4-(4-chlorobenzoyl)aminobenzoyl]aminobenzoic 2-[4-(4-chlorobenzoyl)aminobenzo…

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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) 4.44 -0.52 -58.35 2 6 -1 98 393.806 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(acetamidomethyl)-N-[4-(phenylcarbamoyl)phenyl]benzamide 4-(acetamidomethyl)-N-[4-(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) 2.64 7.54 -22.16 3 6 0 87 387.439 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-fluoro-2-methoxy-N-[4-(phenylcarbamoyl)phenyl]benzamide 5-fluoro-2-methoxy-N-[4-(phenylc…

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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) 4.42 9.03 -18.08 2 5 0 67 364.376 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[[(S)-methylsulfinyl]methyl]-N-[4-(phenylcarbamoyl)phenyl]benzamide 3-[[(S)-methylsulfinyl]methyl]-N…

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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) 2.66 7.73 -23.33 2 5 0 75 392.48 6 ↓

    Analogs

    7770538
    7770538

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-6-fluoro-N-[4-(phenylcarbamoyl)phenyl]benzamide 2-chloro-6-fluoro-N-[4-(phenylca…

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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) 4.46 8.85 -14.32 2 4 0 58 368.795 4 ↓

    Analogs

    8033713
    8033713

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-4,5-difluoro-N-[4-(phenylcarbamoyl)phenyl]benzamide 2-chloro-4,5-difluoro-N-[4-(phen…

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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) 4.58 9.16 -12.63 2 4 0 58 386.785 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl 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) 3.89 9.18 -18.57 2 6 0 85 374.396 6 ↓

    Analogs

    8423869
    8423869

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-3-nitro-N-[4-(phenylcarbamoyl)phenyl]benzamide 4-methyl-3-nitro-N-[4-(phenylcar…

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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 9.82 -24.7 2 7 0 104 375.384 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(phenylcarbamoyl)phenyl]-3-(propanoylamino)benzamide N-[4-(phenylcarbamoyl)phenyl]-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) 3.75 8.22 -23.3 3 6 0 87 387.439 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-fluoro-4-nitro-N-[4-(phenylcarbamoyl)phenyl]benzamide 2-fluoro-4-nitro-N-[4-(phenylcar…

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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) 3.77 9.32 -18.38 2 7 0 104 379.347 5 ↓

    Analogs

    8722988
    8722988
    8723114
    8723114
    16016137
    16016137

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-methoxyethoxy)-N-[4-(phenylcarbamoyl)phenyl]benzamide 2-(2-methoxyethoxy)-N-[4-(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) 4.17 9.11 -22.45 2 6 0 77 390.439 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methyl-5-nitro-N-[4-(phenylcarbamoyl)phenyl]benzamide 2-methyl-5-nitro-N-[4-(phenylcar…

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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 9.89 -15.99 2 7 0 104 375.384 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(3,5-difluorobenzoyl)amino]-2-hydroxy-N-(2-hydroxyphenyl)benzamide 4-[(3,5-difluorobenzoyl)amino]-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) 4.17 4.36 -13.62 4 6 0 99 384.338 4 ↓
    Hi High (pH 8-9.5) 4.17 5.37 -54.28 3 6 -1 101 383.33 4 ↓

    Analogs

    37790193
    37790193
    37791187
    37791187
    37791188
    37791188
    55616990
    55616990
    55616998
    55616998

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-benzamido-N-(2-ethoxy-4-methyl-phenyl)benzamide 4-benzamido-N-(2-ethoxy-4-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) 4.53 9.56 -13.36 2 5 0 67 374.44 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-benzamido-N-[4-(ureidomethyl)phenyl]benzamide 4-benzamido-N-[4-(ureidomethyl)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) 2.55 4.73 -22.26 5 7 0 113 388.427 6 ↓

    Parameters Provided:

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filter.purchasability = annotated
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    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 = 102427 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=102427&filter.purchasability=annotated

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