Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_f2l8psie452d229gr5au0rho85, 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
  • 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
  • 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
  • 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
  • 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
  • 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%


    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

    Vendors

    And 10 More

    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) 4.26 9.13 -16.89 2 7 0 89 316.409 4 ↓

    Analogs

    32189074
    32189074

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methoxy-N'-[4-(1-naphthylmethoxy)benzylidene]benzohydrazide 2-methoxy-N'-[4-(1-naphthylmetho…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 11 More

    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) 6.47 1.33 -19.68 1 5 0 59 410.473 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-(1-naphthylmethylene)-2-(8-quinolinylsulfanyl)acetohydrazide N'-(1-naphthylmethylene)-2-(8-qu…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 7 More

    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 -1.23 -23.62 1 4 0 54 371.465 5 ↓

    Analogs

    21715729
    21715729
    21715731
    21715731
    39227953
    39227953

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(1S)-1-p-phenetyl-1,3,4,9-tetrahydro-$b-carbolin-2-yl]-(2-thienyl)methanone [(1S)-1-p-phenetyl-1,3,4,9-tetra…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 7 More

    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) 5.31 -0.28 -11.26 1 4 0 45 402.519 4 ↓

    Analogs

    21715729
    21715729
    21715731
    21715731
    39227953
    39227953

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(1R)-1-p-phenetyl-1,3,4,9-tetrahydro-$b-carbolin-2-yl]-(2-thienyl)methanone [(1R)-1-p-phenetyl-1,3,4,9-tetra…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 7 More

    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) 5.31 -0.29 -11.46 1 4 0 45 402.519 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-(2-hydroxy-4-methylbenzylidene)-5-methyl-3-phenyl-4-isoxazolecarbohydrazide N'-(2-hydroxy-4-methylbenzyliden…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 8 More

    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) 3.77 6.36 -14.61 2 6 0 88 335.363 4 ↓
    Hi High (pH 8-9.5) 3.77 7.13 -59.09 1 6 -1 91 334.355 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-nitro-2-(3-iodo-4-methylphenyl)-1H-isoindole-1,3(2H)-dione 5-nitro-2-(3-iodo-4-methylphenyl…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 7 More

    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) 4.41 1.42 -9.18 0 6 0 84 408.151 2 ↓

    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

    Vendors

    And 12 More

    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) 4.73 1.01 -11.02 0 7 0 70 405.454 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

    Vendors

    And 12 More

    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) 4.53 -1.47 -12.84 2 4 0 57 403.223 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(9-ethylcarbazol-3-yl)-N-(o-tolyl)methanimine 1-(9-ethylcarbazol-3-yl)-N-(o-to…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 8 More

    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) 5.82 13.38 -7.41 0 2 0 17 312.416 3 ↓
    Lo Low (pH 4.5-6) 5.82 12.64 -35.88 1 2 1 19 313.424 3 ↓

    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

    Vendors

    And 10 More

    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) 5.63 -2 -3.83 0 2 0 6 346.499 4 ↓

    Analogs

    12946351
    12946351
    16954099
    16954099

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(3,4-dimethoxybenzylidene)-5-(4-methylphenyl)-2(3H)-furanone 3-(3,4-dimethoxybenzylidene)-5-(…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 11 More

    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) 3.94 3.86 -14.04 0 4 0 48 322.36 4 ↓

    Analogs

    356148
    356148

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,5,7-triphenylpyrazolo[1,5-a]pyrimidine 3,5,7-triphenylpyrazolo[1,5-a]py…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 6 More

    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) 5.86 2.31 -12.58 0 3 0 30 347.421 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-methyl-6-[2-[(1-phenyltetrazol-5-yl)thio]acetyl]-1,3-benzoxazol-2-one 3-methyl-6-[2-[(1-phenyltetrazol…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 4 More

    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) 1.94 2.96 -18.29 0 8 0 95 367.39 5 ↓

    Analogs

    33752893
    33752893
    33752895
    33752895
    33753033
    33753033
    33753035
    33753035
    33753037
    33753037

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5S)-2-isopropylidene-3-keto-5-(4-methoxyphenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic- (5S)-2-isopropylidene-3-keto-5-(…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 5 More

    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) 4.92 2.3 -10.66 0 6 0 69 386.473 5 ↓

    Analogs

    33752893
    33752893
    33752895
    33752895
    33753033
    33753033
    33753035
    33753035
    33753037
    33753037

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5R)-2-isopropylidene-3-keto-5-(4-methoxyphenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic- (5R)-2-isopropylidene-3-keto-5-(…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 5 More

    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) 4.92 2.23 -10.69 0 6 0 69 386.473 5 ↓

    Analogs

    7096438
    7096438
    7340012
    7340012
    7340016
    7340016
    7340017
    7340017

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-cyclohexyl-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetamide N-cyclohexyl-2-[(1-phenyl-1H-tet…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 8 More

    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) 2.52 -0.04 -10.86 1 6 0 72 317.418 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-ethyl-1-(2-methoxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol 3-ethyl-1-(2-methoxybenzoyl)-5-(…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 9 More

    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 1 -13.19 1 5 0 62 316.279 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-ethyl-1-(2-methoxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol 3-ethyl-1-(2-methoxybenzoyl)-5-(…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 9 More

    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 1.01 -13.17 1 5 0 62 316.279 4 ↓

    Analogs

    714616
    714616

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(4-ethylphenyl)-1-(2-methylbenzoyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol 5-(4-ethylphenyl)-1-(2-methylben…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 7 More

    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) 4.67 1.77 -6.44 1 4 0 52 376.378 4 ↓

    Analogs

    714615
    714615

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(4-ethylphenyl)-1-(2-methylbenzoyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol 5-(4-ethylphenyl)-1-(2-methylben…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 7 More

    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) 4.67 1.79 -6.5 1 4 0 52 376.378 4 ↓

    Analogs

    866283
    866283
    34965811
    34965811

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-ethoxy-4-(1-piperidinylcarbothioyl)phenyl 2-chlorobenzoate 2-ethoxy-4-(1-piperidinylcarboth…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 5 More

    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) 5.39 0.85 -16.88 0 4 0 38 403.931 7 ↓

    Analogs

    866297
    866297

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methoxy-5-(4-morpholinylcarbothioyl)phenyl 2-chlorobenzoate 2-methoxy-5-(4-morpholinylcarbot…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 7 More

    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) 3.95 9.92 -19.85 0 5 0 48 391.876 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2-aminophenyl)-[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]methanone (2-aminophenyl)-[(5S)-5-hydroxy-…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 4 More

    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) 1.57 -1.6 -9.54 3 5 0 78 287.241 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2-aminophenyl)-[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]methanone (2-aminophenyl)-[(5R)-5-hydroxy-…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 4 More

    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) 1.57 -1.48 -9.55 3 5 0 78 287.241 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2-chloro-4,5-difluorobenzoyl)-4-{4-nitrophenyl}piperazine 1-(2-chloro-4,5-difluorobenzoyl)…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 13 More

    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) 3.31 0.42 -12.51 0 6 0 69 381.766 3 ↓

    Analogs

    32188974
    32188974

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-nitro-2-(4-methyl-1-piperazinyl)-1,3-benzothiazole 6-nitro-2-(4-methyl-1-piperaziny…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 10 More

    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) 2.42 -1.8 -46.91 1 6 1 66 279.345 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(4-phthalimidobenzoyl)piperazine-1-carboxylic-acid-ethyl-ester 4-(4-phthalimidobenzoyl)piperazi…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 2 More

    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) 2.11 8.78 -15.66 0 8 0 89 407.426 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(4-succinimidobenzoyl)piperazine-1-carboxylic-acid-ethyl-ester 4-(4-succinimidobenzoyl)piperazi…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 4 More

    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) -0.53 6.65 -18.95 0 8 0 87 359.382 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N~1~-(3-chloro-4-methylphenyl)-N~2~-cyclopropylethanediamide N~1~-(3-chloro-4-methylphenyl)-N…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 11 More

    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) 1.64 -2.15 -6.73 2 4 0 58 252.701 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-fluorobenzoic-acid-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]ethyl-ester 2-fluorobenzoic-acid-2-[(1,1-dik…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 5 More

    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) 1.61 5.47 -23.67 1 6 0 85 348.355 6 ↓

    Analogs

    717054
    717054

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(4-chlorophenyl)-5-oxo-5H-chromeno[4,3-d]pyrimidin-4-yl]acetamide N-[2-(4-chlorophenyl)-5-oxo-5H-c…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 13 More

    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) 3.65 10.61 -11.76 1 6 0 85 365.776 2 ↓

    Analogs

    885704
    885704

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-ethoxy-4-(4-morpholinylcarbothioyl)phenyl phenylacetate 2-ethoxy-4-(4-morpholinylcarboth…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 5 More

    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) 3.31 0.17 -17.99 0 5 0 48 385.485 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(1-piperidinylcarbothioyl)phenyl 3,5-bisnitrobenzoate 2-(1-piperidinylcarbothioyl)phen…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 6 More

    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) 4.93 13.85 -16.64 0 9 0 121 415.427 7 ↓

    Analogs

    4188360
    4188360

    Draw Identity 99% 90% 80% 70%

    Popular Name: BRD-A66350038-001-01-1 BRD-A66350038-001-01-1

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 9 More

    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) 2.28 3.07 -8.62 0 6 0 68 276.292 6 ↓

    Analogs

    49361
    49361

    Draw Identity 99% 90% 80% 70%

    Popular Name: BRD-A66350038-001-01-1 BRD-A66350038-001-01-1

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 9 More

    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) 2.28 3.08 -8.53 0 6 0 68 276.292 6 ↓

    Analogs

    4281876
    4281876

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4R)-3-acetyl-1-(4-methoxyphenyl)-2-pyrazoline-4-carboxylic-acid-methyl-ester (4R)-3-acetyl-1-(4-methoxyphenyl…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 9 More

    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) 1.65 2.94 -9.17 0 6 0 68 276.292 5 ↓

    Analogs

    66585
    66585

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 9 More

    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) 1.65 2.89 -9.28 0 6 0 68 276.292 5 ↓

    Analogs

    4281874
    4281874
    5283387
    5283387
    5283388
    5283388

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl 3-acetyl-1-phenyl-4,5-dihydro-1H-pyrazole-4-carboxylate methyl 3-acetyl-1-phenyl-4,5-dih…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 7 More

    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) 1.59 7.23 -8.27 0 5 0 59 246.266 4 ↓

    Analogs

    5283387
    5283387
    5283388
    5283388
    51707
    51707

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl 3-acetyl-1-phenyl-4,5-dihydro-1H-pyrazole-4-carboxylate methyl 3-acetyl-1-phenyl-4,5-dih…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 7 More

    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) 1.59 7.23 -8.39 0 5 0 59 246.266 4 ↓

    Analogs

    6477786
    6477786
    6477792
    6477792
    26512202
    26512202
    26512206
    26512206

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-benzyl-3-(4-bromophenyl)-1H-pyrazol-5-ylamine 1-benzyl-3-(4-bromophenyl)-1H-py…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 11 More

    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) 4.07 9.16 -7.75 2 3 0 44 328.213 3 ↓
    Lo Low (pH 4.5-6) 4.07 9.28 -31.8 3 3 1 45 329.221 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(1H-benzimidazol-2-ylthio)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]acetamide 2-(1H-benzimidazol-2-ylthio)-N-[…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 5 More

    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) 4.28 -4.8 -15.12 2 5 0 70 386.527 5 ↓

    Analogs

    2976864
    2976864
    1436638
    1436638

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-chloro-2-methylphenyl)-15-methyltetracyclo[6.6.2.0~2,7~.0~9,14~]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide N-(3-chloro-2-methylphenyl)-15-m…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 5 More

    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) 5.79 1.56 -8.16 1 2 0 29 387.91 2 ↓

    Analogs

    2976863
    2976863

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-chloro-2-methylphenyl)-15-methyltetracyclo[6.6.2.0~2,7~.0~9,14~]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide N-(3-chloro-2-methylphenyl)-15-m…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 5 More

    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) 5.79 1.55 -8.32 1 2 0 29 387.91 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-bromo-N'-(4-nitrobenzoyl)benzohydrazide 2-bromo-N'-(4-nitrobenzoyl)benzo…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 11 More

    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) 2.64 -1.91 -12.23 2 7 0 104 364.155 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

    Vendors

    And 16 More

    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) 0.21 6.78 -17.45 1 8 0 106 233.187 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N'-(4-ethoxybenzylidene)-3,4-dimethoxybenzohydrazide N'-(4-ethoxybenzylidene)-3,4-dim…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 11 More

    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) 3.18 0.64 -17 1 6 0 69 328.368 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

    Vendors

    And 10 More

    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) 1.62 -2.22 -45.56 3 7 1 79 390.533 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-(morpholinomethyl)-1,2,4-triazole-3-thione 5-[(3,4-dimethylphenoxy)methyl]-…

    Find On: PubMed — Wikipedia — Google

    Vendors

    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) 1.96 -0.28 -39.49 1 6 1 45 349.48 5 ↓

    Analogs

    6598429
    6598429
    37035574
    37035574

    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

    Vendors

    And 10 More

    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 -0.65 -22.27 1 4 0 49 340.448 5 ↓

    Parameters Provided:

    page.format = basic
page.num = 1
catalog.name = chemblock
filter.purchasability = purchasable

    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  WHERE c.free = 1 AND c.short_name LIKE 'chemblock' AND ci.sub_id_fk IN (SELECT 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  WHERE c.free = 1 AND c.purchasable IN (1,2,4,5)   )    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?catalog.name=chemblock&filter.purchasability=purchasable

    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
  • 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
  • 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
  • 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
  • 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
  • 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