Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_4sp6874cobl9fru5kucph203s7, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
  • Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245
    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
    UCSF
    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-methoxybenzoyl)-4-[(3-methoxyphenyl)methyl]piperidine-4-carboxylic 1-(2-methoxybenzoyl)-4-[(3-metho…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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) 3.02 9.37 -62.01 0 6 -1 79 382.436 6 ↓
    Lo Low (pH 4.5-6) 3.02 7.47 -17.86 1 6 0 76 383.444 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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 2.28 -15.67 0 5 0 56 415.917 7 ↓

    Analogs

    37815838
    37815838

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-[(4-aminophenyl)methyl]-1-piperidyl]-phenyl-methanone [4-[(4-aminophenyl)methyl]-1-pip…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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) 2.56 8.43 -11.19 2 3 0 46 294.398 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-[(4-aminophenyl)methyl]-1-piperidyl]-(o-tolyl)methanone [4-[(4-aminophenyl)methyl]-1-pip…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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) 2.96 9.12 -9.56 2 3 0 46 308.425 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-[(4-aminophenyl)methyl]-1-piperidyl]-(m-tolyl)methanone [4-[(4-aminophenyl)methyl]-1-pip…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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) 2.98 9.09 -11.26 2 3 0 46 308.425 3 ↓

    Analogs

    37815838
    37815838

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-[(4-aminophenyl)methyl]-1-piperidyl]-(p-tolyl)methanone [4-[(4-aminophenyl)methyl]-1-pip…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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) 3.01 9.09 -11 2 3 0 46 308.425 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-[(4-aminophenyl)methyl]-1-piperidyl]-(2-fluorophenyl)methanone [4-[(4-aminophenyl)methyl]-1-pip…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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) 2.67 8.54 -14.77 2 3 0 46 312.388 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-[(4-aminophenyl)methyl]-1-piperidyl]-(3-fluorophenyl)methanone [4-[(4-aminophenyl)methyl]-1-pip…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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) 2.70 8.5 -12.6 2 3 0 46 312.388 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-[(4-aminophenyl)methyl]-1-piperidyl]-(4-fluorophenyl)methanone [4-[(4-aminophenyl)methyl]-1-pip…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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) 2.72 8.49 -10.16 2 3 0 46 312.388 3 ↓

    Analogs

    23304123
    23304123

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-[(4-aminophenyl)methyl]-1-piperidyl]-(2-chlorophenyl)methanone [4-[(4-aminophenyl)methyl]-1-pip…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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) 3.19 8.96 -12.34 2 3 0 46 328.843 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-[(4-aminophenyl)methyl]-1-piperidyl]-(3-chlorophenyl)methanone [4-[(4-aminophenyl)methyl]-1-pip…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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) 3.21 8.94 -11.87 2 3 0 46 328.843 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-[(4-aminophenyl)methyl]-1-piperidyl]-(4-chlorophenyl)methanone [4-[(4-aminophenyl)methyl]-1-pip…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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) 3.24 8.94 -9.84 2 3 0 46 328.843 3 ↓

    Analogs

    631090
    631090
    1295794
    1295794

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-[[4-(aminomethyl)phenyl]methyl]-1-piperidyl]-phenyl-methanone [4-[[4-(aminomethyl)phenyl]methy…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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) 2.67 8.58 -52.11 3 3 1 48 309.433 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)-1-piperidyl]-[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl] [4-[(4-chlorophenyl)methyl]-4-(h…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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 -1.78 -10.91 2 4 0 61 425.956 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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) 4.33 3.19 -13.3 0 5 0 56 407.51 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-acetamido-5-(4-benzylpiperidine-1-carbonyl)phenyl]acetamide N-[3-acetamido-5-(4-benzylpiperi…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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 8.41 -21.98 2 6 0 79 393.487 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[5-(4-benzylpiperidine-1-carbonyl)-2-methyl-phenyl]methanesulfonamide N-[5-(4-benzylpiperidine-1-carbo…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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 8.04 -19.61 1 5 0 66 386.517 5 ↓
    Hi High (pH 8-9.5) 3.09 8.13 -49.19 0 5 -1 69 385.509 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-(4-benzylpiperidine-1-carbonyl)phenyl]methanesulfonamide N-[3-(4-benzylpiperidine-1-carbo…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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) 2.69 7.22 -20.62 1 5 0 66 372.49 5 ↓
    Hi High (pH 8-9.5) 2.69 7.28 -50.21 0 5 -1 69 371.482 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-(4-benzylpiperidine-1-carbonyl)-2-methyl-phenyl]methanesulfonamide N-[3-(4-benzylpiperidine-1-carbo…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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) 3.07 8.01 -14.7 1 5 0 66 386.517 5 ↓
    Hi High (pH 8-9.5) 3.07 8.09 -42.11 0 5 -1 69 385.509 5 ↓

    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:

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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) 4.10 11.08 -12.82 1 4 0 49 364.489 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-benzyl-4-(hydroxymethyl)-1-piperidyl]-(2,3-dimethoxyphenyl)methanone [4-benzyl-4-(hydroxymethyl)-1-pi…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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) 2.92 7.68 -16.64 1 5 0 59 369.461 6 ↓

    Parameters Provided:

    ring.id = 29064
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 = 29064 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=29064&filter.purchasability=annotated

    Embed Link to Results

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