Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_i0l284nu0bofo79kq9hhe4hct4, 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
  • Notice: Undefined index: field_name
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 244
  • 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: piperazine, 1-[(2-bromo-4-chlorophenoxy)acetyl]-4-(diphenylmethyl)- piperazine, 1-[(2-bromo-4-chloro…

    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) 5.83 13.8 -13.52 0 4 0 33 499.836 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: piperazine, 1-(diphenylmethyl)-4-[[2-(1-methylpropyl)phenoxy]acetyl]- piperazine, 1-(diphenylmethyl)-4…

    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) 5.75 15.29 -11.84 0 4 0 33 442.603 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: piperazine, 1-(diphenylmethyl)-4-[[2-(1-methylpropyl)phenoxy]acetyl]- piperazine, 1-(diphenylmethyl)-4…

    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) 5.75 15.29 -11.87 0 4 0 33 442.603 8 ↓

    Analogs

    24386690
    24386690
    35709112
    35709112

    Draw Identity 99% 90% 80% 70%

    Popular Name: piperazine, 1-(diphenylmethyl)-4-[[2-(1-methylethyl)phenoxy]acetyl]- piperazine, 1-(diphenylmethyl)-4…

    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) 5.40 14.63 -11.88 0 4 0 33 428.576 7 ↓

    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) 6.06 14.25 -12.92 0 4 0 33 469.412 6 ↓

    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) 6.06 13.92 -13.14 0 4 0 33 469.412 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: piperazine, 1-[(2-bromo-4-methylphenoxy)acetyl]-4-(diphenylmethyl)- piperazine, 1-[(2-bromo-4-methyl…

    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) 5.60 13.95 -13.93 0 4 0 33 479.418 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: piperazine, 1-(diphenylmethyl)-4-[[5-methyl-2-(1-methylethyl)phenoxy]acetyl]- piperazine, 1-(diphenylmethyl)-4…

    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) 5.83 15.3 -11.77 0 4 0 33 442.603 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: piperazine, 1-[(4-bromo-3-methylphenoxy)acetyl]-4-(diphenylmethyl)- piperazine, 1-[(4-bromo-3-methyl…

    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) 5.60 13.89 -11.82 0 4 0 33 479.418 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: piperazine, 1-[(4-bromo-2-methylphenoxy)acetyl]-4-(diphenylmethyl)- piperazine, 1-[(4-bromo-2-methyl…

    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) 5.60 13.96 -11.48 0 4 0 33 479.418 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: piperazine, 1-[(2-bromo-4-ethylphenoxy)acetyl]-4-(diphenylmethyl)- piperazine, 1-[(2-bromo-4-ethylp…

    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) 6.07 14.72 -13.71 0 4 0 33 493.445 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: piperazine, 1-[(4-bromo-2,6-dimethylphenoxy)acetyl]-4-(diphenylmethyl)- piperazine, 1-[(4-bromo-2,6-dime…

    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) 5.98 14.72 -9.89 0 4 0 33 493.445 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: piperazine, 1-(diphenylmethyl)-4-[2-(2-methylphenoxy)-1-oxobutyl]- piperazine, 1-(diphenylmethyl)-4…

    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) 5.68 14.42 -11.52 0 4 0 33 428.576 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: piperazine, 1-(diphenylmethyl)-4-[2-(2-methylphenoxy)-1-oxobutyl]- piperazine, 1-(diphenylmethyl)-4…

    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) 5.68 14.42 -11.75 0 4 0 33 428.576 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: piperazine, 1-(diphenylmethyl)-4-[2-(2-methoxyphenoxy)-1-oxopropyl]- piperazine, 1-(diphenylmethyl)-4…

    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) 4.39 12.74 -15.92 0 5 0 42 430.548 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: piperazine, 1-(diphenylmethyl)-4-[2-(2-methoxyphenoxy)-1-oxopropyl]- piperazine, 1-(diphenylmethyl)-4…

    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) 4.39 12.92 -15.93 0 5 0 42 430.548 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: piperazine, 1-[2-(4-chlorophenoxy)-1-oxopropyl]-4-(diphenylmethyl)- piperazine, 1-[2-(4-chlorophenox…

    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) 5.45 13.73 -11.2 0 4 0 33 434.967 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: piperazine, 1-[2-(4-chlorophenoxy)-1-oxopropyl]-4-(diphenylmethyl)- piperazine, 1-[2-(4-chlorophenox…

    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) 5.45 13.68 -11.46 0 4 0 33 434.967 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: piperazine, 1-(diphenylmethyl)-4-[2-(4-methylphenoxy)-1-oxobutyl]- piperazine, 1-(diphenylmethyl)-4…

    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) 5.73 14.4 -11.68 0 4 0 33 428.576 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: piperazine, 1-(diphenylmethyl)-4-[2-(4-methylphenoxy)-1-oxobutyl]- piperazine, 1-(diphenylmethyl)-4…

    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) 5.73 14.4 -11.99 0 4 0 33 428.576 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]-3-methoxy-benzonitrile 4-[2-[4-[bis(4-fluorophenyl)meth…

    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) 4.09 13.11 -20.29 0 6 0 66 477.511 7 ↓
    Lo Low (pH 4.5-6) 4.09 14.68 -68.88 1 6 1 67 478.519 7 ↓

    Parameters Provided:

    ring.id = 193805
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 = 193805 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=193805&filter.purchasability=annotated

    Embed Link to Results

  • Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245
  • Notice: Undefined index: field_name
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 244
  • Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245