Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_s67hqtpgpacvuupp6jr247lmt2, 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: 4-hydroxy-3-nitro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide 4-hydroxy-3-nitro-N-[4-(pyrrolid…

    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) 1.74 5.18 -51.95 1 9 -1 135 390.397 5 ↓
    Mid Mid (pH 6-8) 1.74 4.23 -44.72 1 9 -1 135 390.397 5 ↓
    Mid Mid (pH 6-8) 1.74 4.19 -24.81 2 9 0 133 391.405 5 ↓

    Analogs

    25509823
    25509823
    39968676
    39968676

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,5-dichloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide 2,5-dichloro-N-[4-(pyrrolidine-1…

    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 6.51 -12.76 1 5 0 66 399.299 4 ↓
    Hi High (pH 8-9.5) 3.36 6.59 -41.05 0 5 -1 69 398.291 4 ↓

    Analogs

    25509853
    25509853

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(1-hydroxyethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide 4-(1-hydroxyethyl)-N-[4-(pyrroli…

    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) 1.64 3.65 -16.5 2 6 0 87 374.462 5 ↓
    Mid Mid (pH 6-8) 1.64 3.72 -44.48 1 6 -1 89 373.454 5 ↓

    Analogs

    25509853
    25509853

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(1-hydroxyethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide 4-(1-hydroxyethyl)-N-[4-(pyrroli…

    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) 1.64 3.68 -16.47 2 6 0 87 374.462 5 ↓
    Mid Mid (pH 6-8) 1.64 3.75 -44.76 1 6 -1 89 373.454 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide 4-chloro-N-[4-(pyrrolidine-1-car…

    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) 2.75 5.95 -13.35 1 5 0 66 364.854 4 ↓
    Hi High (pH 8-9.5) 2.75 6.02 -39.69 0 5 -1 69 363.846 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide 4-bromo-N-[4-(pyrrolidine-1-carb…

    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) 2.88 6.05 -13.35 1 5 0 66 409.305 4 ↓
    Hi High (pH 8-9.5) 2.88 6.13 -39.64 0 5 -1 69 408.297 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-fluoro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide 4-fluoro-N-[4-(pyrrolidine-1-car…

    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) 2.24 5.4 -13.8 1 5 0 66 348.399 4 ↓
    Hi High (pH 8-9.5) 2.24 5.48 -40.02 0 5 -1 69 347.391 4 ↓

    Analogs

    14253851
    14253851

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-ethyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide 4-ethyl-N-[4-(pyrrolidine-1-carb…

    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) 2.99 6.87 -13.57 1 5 0 66 358.463 5 ↓
    Hi High (pH 8-9.5) 2.99 6.94 -44.4 0 5 -1 69 357.455 5 ↓

    Analogs

    25509847
    25509847
    25509850
    25509850
    25509859
    25509859
    14253849
    14253849

    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) 3.38 7.65 -13.43 1 5 0 66 372.49 6 ↓
    Hi High (pH 8-9.5) 3.38 7.72 -44.07 0 5 -1 69 371.482 6 ↓

    Analogs

    6212913
    6212913

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-isopropyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide 4-isopropyl-N-[4-(pyrrolidine-1-…

    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) 3.59 7.36 -13.33 1 5 0 66 372.49 5 ↓
    Hi High (pH 8-9.5) 3.59 7.43 -44.18 0 5 -1 69 371.482 5 ↓

    Analogs

    25509850
    25509850

    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) 3.37 8.11 -13.36 1 5 0 66 386.517 6 ↓
    Hi High (pH 8-9.5) 3.37 8.19 -44.19 0 5 -1 69 385.509 6 ↓

    Analogs

    14253863
    14253863

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-sec-butyl-benzenesulfonamide N-[4-(pyrrolidine-1-carbonyl)phe…

    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) 3.93 8.02 -13.21 1 5 0 66 386.517 6 ↓
    Hi High (pH 8-9.5) 3.93 8.09 -44.01 0 5 -1 69 385.509 6 ↓

    Analogs

    14253860
    14253860

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-sec-butyl-benzenesulfonamide N-[4-(pyrrolidine-1-carbonyl)phe…

    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) 3.93 8.02 -13.22 1 5 0 66 386.517 6 ↓
    Hi High (pH 8-9.5) 3.93 8.09 -44.11 0 5 -1 69 385.509 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,4-dimethyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide 3,4-dimethyl-N-[4-(pyrrolidine-1…

    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) 2.90 6.63 -13.92 1 5 0 66 358.463 4 ↓
    Hi High (pH 8-9.5) 2.90 6.71 -45.93 0 5 -1 69 357.455 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,5-dimethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide 2,5-dimethoxy-N-[4-(pyrrolidine-…

    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 4.47 -16.48 1 7 0 85 390.461 6 ↓
    Hi High (pH 8-9.5) 2.11 4.54 -50.89 0 7 -1 87 389.453 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,4-dimethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide 3,4-dimethoxy-N-[4-(pyrrolidine-…

    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) 1.72 4.63 -17.05 1 7 0 85 390.461 6 ↓
    Hi High (pH 8-9.5) 1.72 4.71 -44.83 0 7 -1 87 389.453 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,4-difluoro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide 2,4-difluoro-N-[4-(pyrrolidine-1…

    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 5.56 -13.77 1 5 0 66 366.389 4 ↓
    Hi High (pH 8-9.5) 2.33 5.63 -41.87 0 5 -1 69 365.381 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,5-difluoro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide 2,5-difluoro-N-[4-(pyrrolidine-1…

    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 5.56 -13.84 1 5 0 66 366.389 4 ↓
    Hi High (pH 8-9.5) 2.33 5.63 -43.72 0 5 -1 69 365.381 4 ↓

    Analogs

    14225883
    14225883

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,4,6-trimethyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide 2,4,6-trimethyl-N-[4-(pyrrolidin…

    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) 3.28 7.27 -14.8 1 5 0 66 372.49 4 ↓
    Hi High (pH 8-9.5) 3.28 7.37 -46.43 0 5 -1 69 371.482 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-chloro-N-methyl-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide 4-chloro-N-methyl-N-[2-methyl-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) 3.37 8.34 -15.79 0 5 0 58 392.908 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N,4-dimethyl-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide N,4-dimethyl-N-[2-methyl-4-(pyrr…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.14 8.58 -16.54 0 5 0 58 372.49 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methoxy-N-methyl-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide 4-methoxy-N-methyl-N-[2-methyl-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) 2.75 7.12 -17.3 0 6 0 67 388.489 5 ↓

    Parameters Provided:

    ring.id = 90323
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 = 90323 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=90323&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