Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_3sejuoeaifo1a7vsogicre46v4, 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
    • 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: N-Fmoc-(+/-)-3-amino-hept-6-enoic acid N-Fmoc-(+/-)-3-amino-hept-6-enoi…

    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) 6.02 11.66 -50.92 1 5 -1 78 364.421 9 ↓

    Analogs

    32099098
    32099098
    38528654
    38528654

    Draw Identity 99% 90% 80% 70%

    Popular Name: Fmoc-3-exo-aminobicyclo[2.2.1]-hept-5-ene-2-exo-carboxylic acid Fmoc-3-exo-aminobicyclo[2.2.1]-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) 5.95 12.49 -55.85 1 5 -1 78 374.416 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-Boc-(+/-)-3-aminononanal N-Boc-(+/-)-3-aminononanal

    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) 5.96 6.5 -8.42 1 4 0 55 257.374 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-Boc-(+/-)-3-aminooctanal N-Boc-(+/-)-3-aminooctanal

    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) 5.46 5.72 -8.48 1 4 0 55 243.347 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-Boc-(+/-)-3-aminoheptanal N-Boc-(+/-)-3-aminoheptanal

    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) 4.95 4.94 -8.47 1 4 0 55 229.32 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-Boc-(+/-)-3-aminohept-6-enal N-Boc-(+/-)-3-aminohept-6-enal

    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) 4.43 4.71 -8.75 1 4 0 55 227.304 8 ↓

    Analogs

    2583297
    2583297
    32098931
    32098931
    32098932
    32098932
    2555435
    2555435

    Draw Identity 99% 90% 80% 70%

    Popular Name: BOC-3-EXO-AMINOBICYCLO[2.2.1]HEPT-5-ENE-2-EXO-CARBOXYLICACID BOC-3-EXO-AMINOBICYCLO[2.2.1]HEP…

    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) 3.79 5.13 -55.21 1 5 -1 78 252.29 4 ↓

    Analogs

    12405107
    12405107
    12953398
    12953398
    12953404
    12953404
    34924570
    34924570
    34924571
    34924571

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-Aminobicyclo[2.2.1]heptane-2-carboxylic acid 3-Aminobicyclo[2.2.1]heptane-2-c…

    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) 0.07 2.48 -34.85 3 3 0 68 155.197 1 ↓

    Analogs

    34619937
    34619937
    32099048
    32099048

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-Boc-(+/-)-amino-4-methyl-pentanal N-Boc-(+/-)-amino-4-methyl-pentanal

    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 3.77 -8.55 1 4 0 55 215.293 6 ↓

    Analogs

    34619937
    34619937
    39093874
    39093874
    32099048
    32099048

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-Boc-(+/-)-3-amino-4,4-dimethylpentanal N-Boc-(+/-)-3-amino-4,4-dimethyl…

    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) 4.71 4.54 -9.94 1 4 0 55 229.32 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-Boc-(+/-)-3-aminohexanal N-Boc-(+/-)-3-aminohexanal

    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) 4.45 4.16 -8.42 1 4 0 55 215.293 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: O6EtGuo O6EtGuo

    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) -0.91 -5.2 -16.14 5 10 0 149 311.298 4 ↓
    Lo Low (pH 4.5-6) -0.91 -4.29 -34.71 6 10 1 150 312.306 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: O6EtGuo O6EtGuo

    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) -0.91 -5.33 -15.31 5 10 0 149 311.298 4 ↓
    Lo Low (pH 4.5-6) -0.91 -4.41 -34.35 6 10 1 150 312.306 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: O6EtGuo O6EtGuo

    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) -0.91 -4.34 -17.02 5 10 0 149 311.298 4 ↓
    Lo Low (pH 4.5-6) -0.91 -3.43 -35.11 6 10 1 150 312.306 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: O6EtGuo O6EtGuo

    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) -0.91 -3.79 -16.67 5 10 0 149 311.298 4 ↓
    Lo Low (pH 4.5-6) -0.91 -2.88 -36.06 6 10 1 150 312.306 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (+/-)-tert-butyl-1-methyl-8-oxo-7-azabicyclo[4.2.0]octane-7-carboxylate (+/-)-tert-butyl-1-methyl-8-oxo-…

    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) 2.78 6.38 -10 0 4 0 47 239.315 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (+/-)-1-Methyl-7-azabicyclo[4.2.0]octan-8-one (+/-)-1-Methyl-7-azabicyclo[4.2.…

    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) 1.50 1.78 -6.84 1 2 0 29 139.198 0 ↓

    Analogs

    22063177
    22063177
    6508
    6508

    Draw Identity 99% 90% 80% 70%

    Popular Name: O6MeGuo O6MeGuo

    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) -1.28 -6.15 -16.2 5 10 0 149 297.271 3 ↓

    Analogs

    22063177
    22063177
    6508
    6508

    Draw Identity 99% 90% 80% 70%

    Popular Name: O6MeGuo O6MeGuo

    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) -1.28 -6.27 -15.39 5 10 0 149 297.271 3 ↓

    Analogs

    22063177
    22063177
    6508
    6508

    Draw Identity 99% 90% 80% 70%

    Popular Name: O6MeGuo O6MeGuo

    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) -1.28 -5.29 -17.21 5 10 0 149 297.271 3 ↓

    Analogs

    22063177
    22063177
    6508
    6508

    Draw Identity 99% 90% 80% 70%

    Popular Name: O6MeGuo O6MeGuo

    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) -1.28 -4.74 -16.82 5 10 0 149 297.271 3 ↓

    Analogs

    21997607
    21997607

    Draw Identity 99% 90% 80% 70%

    Popular Name: Boc-(S)-3-Amino-3-phenylpropanal Boc-(S)-3-Amino-3-phenylpropanal

    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) 1.90 5.5 -7.89 1 4 0 55 249.31 6 ↓

    Analogs

    21997607
    21997607

    Draw Identity 99% 90% 80% 70%

    Popular Name: Boc-(R)-3-Amino-3-phenylpropanal Boc-(R)-3-Amino-3-phenylpropanal

    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) 1.90 5.42 -8.22 1 4 0 55 249.31 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-Boc-(+/-)-3-aminohexanal N-Boc-(+/-)-3-aminohexanal

    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) 4.45 4.24 -8.21 1 4 0 55 215.293 7 ↓

    Analogs

    32099049
    32099049
    34619937
    34619937
    39093874
    39093874

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-Boc-(+/-)-3-amino-4,4-dimethylpentanal N-Boc-(+/-)-3-amino-4,4-dimethyl…

    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) 4.71 4.53 -7.79 1 4 0 55 229.32 6 ↓

    Analogs

    39093874
    39093874
    32099048
    32099048
    32099049
    32099049

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-Boc-(+/-)-amino-4-methyl-pentanal N-Boc-(+/-)-amino-4-methyl-pentanal

    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 3.76 -7.45 1 4 0 55 215.293 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Methyl (2-cyanophenyl)acetate Methyl (2-cyanophenyl)acetate

    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) 1.69 6.16 -9.56 0 3 0 50 175.187 3 ↓

    Analogs

    52233068
    52233068
    52233071
    52233071
    52233085
    52233085
    52233088
    52233088

    Draw Identity 99% 90% 80% 70%

    Popular Name: Methyl (3-cyanophenyl)acetate Methyl (3-cyanophenyl)acetate

    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) 1.71 6.32 -9.55 0 3 0 50 175.187 3 ↓

    Analogs

    34883434
    34883434
    34883435
    34883435

    Draw Identity 99% 90% 80% 70%

    Popular Name: Methyl (4-cyanophenyl)acetate Methyl (4-cyanophenyl)acetate

    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 6.33 -9.42 0 3 0 50 175.187 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Cyanophenylacetonitrile 2-Cyanophenylacetonitrile

    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) 1.61 5.89 -11.07 0 2 0 48 142.161 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(Cyanomethyl)benzonitrile 3-(Cyanomethyl)benzonitrile

    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) 1.63 6.04 -11.92 0 2 0 48 142.161 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Cyanophenylacetonitrile 4-Cyanophenylacetonitrile

    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) 1.66 4.13 -11.93 0 2 0 47 142.161 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-Cyclopentene-1-ol 3-Cyclopentene-1-ol

    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) 0.59 0.74 -2.64 1 1 0 20 84.118 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: LS-58359 LS-58359

    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) 3.51 0.24 -5.89 1 2 0 37 278.351 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: LS-58359 LS-58359

    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) 3.51 0.53 -6.23 1 2 0 37 278.351 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: LS-58359 LS-58359

    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) 3.51 0.69 -6.56 1 2 0 37 278.351 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: LS-58359 LS-58359

    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) 3.51 0.41 -6.16 1 2 0 37 278.351 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,5-Dimethyl-3,4-diphenyl-cyclopent-2-enone 2,5-Dimethyl-3,4-diphenyl-cyclop…

    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 2.67 -5.99 0 1 0 17 262.352 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,5-Dimethyl-3,4-diphenyl-cyclopent-2-enone 2,5-Dimethyl-3,4-diphenyl-cyclop…

    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 2.74 -5.92 0 1 0 17 262.352 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,5-Dimethyl-3,4-diphenyl-cyclopent-2-enone 2,5-Dimethyl-3,4-diphenyl-cyclop…

    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 11.49 -6.37 0 1 0 17 262.352 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,5-Furandimethanol 2,5-Furandimethanol

    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) 0.11 -3.66 -9.08 2 3 0 53 128.127 2 ↓

    Analogs

    37054493
    37054493

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-furylmethyl)-4-methyl-benzenesulfonamide N-(2-furylmethyl)-4-methyl-benze…

    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) 2.11 3.32 -10.63 1 4 0 59 251.307 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Methyl-N-[(5-methyl-2-furyl)methyl]benzene-sulfonamide 4-Methyl-N-[(5-methyl-2-furyl)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) 2.33 -3.25 -10.82 1 4 0 59 265.334 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) 2.10 -1.46 -9.1 2 4 0 54 216.24 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,5-Bis-benzoyloxymethyl-furan 2,5-Bis-benzoyloxymethyl-furan

    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) 4.97 12.02 -10.88 0 5 0 66 336.343 8 ↓

    Analogs

    8701494
    8701494
    1529539
    1529539

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-Furfuryl-acetamid N-Furfuryl-acetamid

    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) 0.12 1.63 -7.97 1 3 0 42 139.154 2 ↓

    Analogs

    6334315
    6334315
    36757546
    36757546
    36757547
    36757547
    44808740
    44808740
    44808741
    44808741

    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) 2.11 0.75 -7.19 1 3 0 42 181.235 3 ↓

    Analogs

    13139391
    13139391

    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) 3.34 6.68 -6.8 1 3 0 42 259.349 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-Furfuryl-benzamide N-Furfuryl-benzamide

    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) 1.79 4.75 -8.45 1 3 0 42 201.225 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: tert-Butyl[(5-methylfuran-2-yl)methyl]carbamate tert-Butyl[(5-methylfuran-2-yl)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) 2.01 3.88 -5.84 1 4 0 51 211.261 4 ↓

    Parameters Provided:

    page.format = targets
page.num = 1
catalog.name = squarix
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 'squarix' 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=squarix&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