• 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

    10507709
    10507709
    10507074
    10507074

    Draw Identity 99% 90% 80% 70%

    Popular Name: hexanediamide, N,N'-bis[2-(2-ethoxyethoxy)phenyl]- hexanediamide, N,N'-bis[2-(2-eth…

    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) 4.02 -1.65 -15.79 2 8 0 95 472.582 17 ↓

    Analogs

    37016173
    37016173
    6396627
    6396627
    6396652
    6396652
    16016089
    16016089

    Draw Identity 99% 90% 80% 70%

    Popular Name: hexanediamide, N,N'-bis[4-[(methylamino)carbonyl]phenyl]- hexanediamide, N,N'-bis[4-[(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) 1.86 4.28 -28.38 4 8 0 116 410.474 9 ↓

    Analogs

    40858977
    40858977
    40858987
    40858987
    43706535
    43706535
    5328874
    5328874
    4133024
    4133024

    Draw Identity 99% 90% 80% 70%

    Popular Name: diethyl-4,4'-[(1,6-dioxo-1,6-hexanediyl)di(imino)]dibenzoate diethyl-4,4'-[(1,6-dioxo-1,6-hex…

    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) 4.56 1.49 -18.51 2 8 0 111 440.496 13 ↓

    Analogs

    12403751
    12403751
    35232013
    35232013
    35232028
    35232028
    2774120
    2774120
    5328872
    5328872

    Draw Identity 99% 90% 80% 70%

    Popular Name: N,N'-bis(2-methoxy-5-nitrophenyl)hexanediamide N,N'-bis(2-methoxy-5-nitrophenyl…

    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) 3.36 0.58 -23.96 2 12 0 168 446.416 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: hexanediamide, N,N'-bis(3,4-dimethoxyphenyl)- hexanediamide, N,N'-bis(3,4-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) 2.76 6.21 -19.62 2 8 0 95 416.474 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N,N'-bis(5-fluoro-2-methyl-phenyl)hexanediamide N,N'-bis(5-fluoro-2-methyl-pheny…

    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) 4.55 9.73 -17.28 2 4 0 58 360.404 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N,N'-bis(2,5-difluorophenyl)hexanediamide N,N'-bis(2,5-difluorophenyl)hexa…

    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) 3.98 8.19 -12.41 2 4 0 58 368.33 7 ↓

    Analogs

    37000912
    37000912
    37003009
    37003009
    37003014
    37003014
    37124612
    37124612
    37124616
    37124616

    Draw Identity 99% 90% 80% 70%

    Popular Name: hexanediamide, N,N'-bis[2-[(dimethylamino)carbonyl]phenyl]- hexanediamide, N,N'-bis[2-[(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) 1.31 8.02 -20.6 2 8 0 99 438.528 9 ↓

    Analogs

    25425353
    25425353
    42165420
    42165420
    42165421
    42165421
    8110006
    8110006

    Draw Identity 99% 90% 80% 70%

    Popular Name: hexanediamide, N,N'-bis(3-chloro-4-methoxyphenyl)- hexanediamide, N,N'-bis(3-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) 4.80 7.51 -19.65 2 6 0 77 425.312 9 ↓

    Analogs

    8109968
    8109968
    8110012
    8110012

    Draw Identity 99% 90% 80% 70%

    Popular Name: hexanediamide, N,N'-bis[2-[[(1-methylethyl)amino]carbonyl]phenyl]- hexanediamide, N,N'-bis[2-[[(1-m…

    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) 3.11 8.57 -18.28 4 8 0 116 466.582 11 ↓

    Analogs

    8110016
    8110016

    Draw Identity 99% 90% 80% 70%

    Popular Name: hexanediamide, N,N'-bis[2-[(propylamino)carbonyl]phenyl]- hexanediamide, N,N'-bis[2-[(prop…

    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) 3.52 8.43 -18.18 4 8 0 116 466.582 13 ↓

    Analogs

    33683655
    33683655
    8110053
    8110053

    Draw Identity 99% 90% 80% 70%

    Popular Name: hexanediamide, N,N'-bis[2-[(ethylamino)carbonyl]phenyl]- hexanediamide, N,N'-bis[2-[(ethy…

    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) 2.51 6.9 -18.48 4 8 0 116 438.528 11 ↓

    Analogs

    37023343
    37023343
    37023374
    37023374
    37023376
    37023376

    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) 4.38 2.19 -12.14 2 4 0 58 408.586 9 ↓

    Analogs

    42165705
    42165705
    42165706
    42165706

    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) 5.25 0.23 -12.93 2 4 0 58 352.478 9 ↓

    Analogs

    10715400
    10715400
    10715401
    10715401
    10715408
    10715408
    10715409
    10715409

    Draw Identity 99% 90% 80% 70%

    Popular Name: hexanediamide, N,N'-bis[2-[[(1-methylpropyl)amino]carbonyl]phenyl]- hexanediamide, N,N'-bis[2-[[(1-m…

    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) 4.18 10.51 -17.59 4 8 0 116 494.636 13 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: hexanediamide, N,N'-bis[3-(acetylamino)-4-methylphenyl]- hexanediamide, N,N'-bis[3-(acety…

    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) 2.66 7.32 -23.99 4 8 0 116 438.528 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: hexanediamide, N,N'-bis[4-[3-(methylamino)-3-oxopropyl]phenyl]- hexanediamide, N,N'-bis[4-[3-(me…

    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) 3.08 7.34 -24.21 4 8 0 116 466.582 13 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3R)-N,N'-bis(3-cyanophenyl)-N,N',3-trimethyl-hexanediamide (3R)-N,N'-bis(3-cyanophenyl)-N,N…

    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) 2.09 12.5 -16.98 0 6 0 88 388.471 7 ↓

    Parameters Provided:

    ring.id = 9468
filter.purchasability = annotated
page.format = targets
page.num = 1
iosrct = adnet
iocnl3 = legacy
iocnl1 = google_adsense
iosrcn = adwords

    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 = 9468 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=9468&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