Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_42lp10ukt3lc87m01huno2p9g6, 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: [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)-methanone [4-(2-fluorophenyl)sulfonylpiper…

    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) 2.06 -3.4 -14.29 0 5 0 57 326.393 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)-methanone [4-(2-fluorophenyl)sulfonylpiper…

    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) 2.06 -3.29 -14.95 0 5 0 57 326.393 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)-methanone [4-(2-fluorophenyl)sulfonylpiper…

    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) 2.06 -3.28 -14.94 0 5 0 57 326.393 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)-methanone [4-(2-fluorophenyl)sulfonylpiper…

    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) 2.06 -3.41 -14.22 0 5 0 57 326.393 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(3-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropyl-methanone [4-(3-aminophenyl)sulfonylpipera…

    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) 0.39 2.74 -14.44 2 6 0 84 309.391 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(4-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropyl-methanone [4-(4-aminophenyl)sulfonylpipera…

    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) 0.41 2.74 -14.72 2 6 0 84 309.391 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(2-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropyl-methanone [4-(2-aminophenyl)sulfonylpipera…

    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) 0.77 3.2 -13.65 2 6 0 84 309.391 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: cyclopropyl-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]methanone cyclopropyl-[4-(3,4-dichlorophen…

    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) 2.62 5.85 -12.99 0 5 0 58 363.266 3 ↓

    Analogs

    15925614
    15925614
    15925615
    15925615

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[(1S)-2,2-dichlorocyclopropyl]methanone [4-(4-chlorophenyl)sulfonylpiper…

    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 6.42 -12.61 0 5 0 58 397.711 3 ↓

    Analogs

    26984088
    26984088
    26984092
    26984092
    14181474
    14181474
    14181476
    14181476
    14188207
    14188207

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[(1R)-2,2-dichlorocyclopropyl]methanone [4-(4-chlorophenyl)sulfonylpiper…

    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 6.42 -12.65 0 5 0 58 397.711 3 ↓

    Analogs

    14245379
    14245379
    14245380
    14245380

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-[(1R)-2,2-dichlorocyclopropyl]methanone [4-(4-bromophenyl)sulfonylpipera…

    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) 3.14 6.52 -12.58 0 5 0 58 442.162 3 ↓

    Analogs

    14245379
    14245379
    14245380
    14245380

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-[(1S)-2,2-dichlorocyclopropyl]methanone [4-(4-bromophenyl)sulfonylpipera…

    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) 3.14 6.53 -12.53 0 5 0 58 442.162 3 ↓

    Analogs

    6237171
    6237171
    14181474
    14181474
    14181476
    14181476

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(1S)-2,2-dichlorocyclopropyl]-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone [(1S)-2,2-dichlorocyclopropyl]-[…

    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) 2.76 6.14 -13.46 0 6 0 67 407.319 5 ↓

    Analogs

    6237171
    6237171
    14181474
    14181474
    14181476
    14181476

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(1R)-2,2-dichlorocyclopropyl]-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone [(1R)-2,2-dichlorocyclopropyl]-[…

    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) 2.76 6.13 -13.84 0 6 0 67 407.319 5 ↓

    Analogs

    26984088
    26984088
    26984092
    26984092

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[(1S)-2,2-dichlorocyclopropyl]methano [4-[4-chloro-3-(trifluoromethyl)…

    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) 3.83 7.33 -13.37 0 5 0 58 465.708 4 ↓

    Analogs

    26984088
    26984088
    26984092
    26984092

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[(1R)-2,2-dichlorocyclopropyl]methano [4-[4-chloro-3-(trifluoromethyl)…

    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) 3.83 7.32 -14.44 0 5 0 58 465.708 4 ↓

    Analogs

    36264389
    36264389
    36264391
    36264391
    15931218
    15931218
    15931219
    15931219

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(1S)-2,2-dichlorocyclopropyl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone [(1S)-2,2-dichlorocyclopropyl]-[…

    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) 2.47 5.97 -14.12 0 5 0 58 381.256 3 ↓

    Analogs

    36264389
    36264389
    36264391
    36264391
    15931218
    15931218
    15931219
    15931219

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(1R)-2,2-dichlorocyclopropyl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone [(1R)-2,2-dichlorocyclopropyl]-[…

    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) 2.47 5.96 -14.28 0 5 0 58 381.256 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(1R)-2,2-dichloro-1-methyl-cyclopropyl]-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone [(1R)-2,2-dichloro-1-methyl-cycl…

    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) 2.63 6.21 -11.68 0 5 0 58 431.263 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(1S)-2,2-dichloro-1-methyl-cyclopropyl]-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]methanone [(1S)-2,2-dichloro-1-methyl-cycl…

    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) 2.63 6.19 -12.57 0 5 0 58 431.263 3 ↓

    Analogs

    14245380
    14245380
    25465368
    25465368
    25465373
    25465373

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-[(1S)-2,2-dichloro-1-methyl-cyclopropyl]methanone [4-(3-bromophenyl)sulfonylpipera…

    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 6.85 -14.69 0 5 0 58 456.189 3 ↓

    Analogs

    25465368
    25465368
    25465373
    25465373
    14245379
    14245379

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-[(1R)-2,2-dichloro-1-methyl-cyclopropyl]methanone [4-(3-bromophenyl)sulfonylpipera…

    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 6.83 -14.29 0 5 0 58 456.189 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanon [4-[2-chloro-5-(trifluoromethyl)…

    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) 3.44 6.77 -12.03 0 5 0 58 410.845 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanon [4-[2-chloro-5-(trifluoromethyl)…

    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) 3.44 6.74 -12.71 0 5 0 58 410.845 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanon [4-[2-chloro-5-(trifluoromethyl)…

    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) 3.44 6.75 -12.61 0 5 0 58 410.845 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-[(1R,2S)-2-methylcyclopropyl]methanon [4-[2-chloro-5-(trifluoromethyl)…

    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) 3.44 6.78 -12.03 0 5 0 58 410.845 4 ↓

    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) 3.20 7.87 -13.39 0 5 0 58 350.484 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: cyclopropyl-[4-(o-tolylsulfonyl)piperazin-1-yl]methanone cyclopropyl-[4-(o-tolylsulfonyl)…

    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) 1.73 5.17 -14.19 0 5 0 58 308.403 3 ↓

    Parameters Provided:

    ring.id = 5664
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 = 5664 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=5664&filter.purchasability=annotated

    Embed Link to Results

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