Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_k4166p68rp9t49rj75f455elj0, 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
    • 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: 2-[4-(1,1-dimethylpropyl)phenoxy]-N-[2-(2-hydroxyethyl)-3-oxo-1H-pyrazol-5-yl]acetamide 2-[4-(1,1-dimethylpropyl)phenoxy…

    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) 2.85 2.92 -43.61 2 7 -1 103 346.407 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


    Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

    Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

    Popular Name:

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.24 6.02 -46.56 1 9 -1 117 392.424 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-N,N-diethyl-1-[(5-hydrazino-1,3-dimethyl-pyrazol-4-yl)methyl]pyrrolidin-3-amine (3S)-N,N-diethyl-1-[(5-hydrazino…

    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) 0.78 4.33 -36.35 4 6 1 67 281.428 5 ↓
    Hi High (pH 8-9.5) 0.61 1.88 -5.46 3 6 0 62 280.42 6 ↓
    Mid Mid (pH 6-8) 0.78 4.15 -78.78 5 6 2 68 282.436 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [2,5-dimethyl-4-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]pyrazol-3-yl]hydrazine [2,5-dimethyl-4-[[(3S)-3-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) 0.44 4.38 -36.61 4 6 1 67 279.412 3 ↓
    Hi High (pH 8-9.5) 0.26 1.83 -6.37 3 6 0 62 278.404 4 ↓
    Mid Mid (pH 6-8) 0.44 4.17 -79.1 5 6 2 68 280.42 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [2,5-dimethyl-4-[[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]methyl]pyrazol-3-yl]hydrazine [2,5-dimethyl-4-[[(3R)-3-(1-pipe…

    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) 0.94 5.14 -36.55 4 6 1 67 293.439 3 ↓
    Hi High (pH 8-9.5) 0.76 2.84 -6.43 3 6 0 62 292.431 4 ↓
    Mid Mid (pH 6-8) 0.94 4.95 -79.93 5 6 2 68 294.447 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6-amino-N-(3-methyl-1H-pyrazol-5-yl)pyridine-3-sulfonamide 6-amino-N-(3-methyl-1H-pyrazol-5…

    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) 0.36 -0.04 -45.65 4 7 0 117 253.287 2 ↓
    Hi High (pH 8-9.5) 0.18 -0.65 -42.81 3 7 -1 116 252.279 3 ↓
    Hi High (pH 8-9.5) 0.36 -0.53 -42.16 3 7 -1 115 252.279 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-[(5-hydroxy-1-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]-N-methyl-1H-indole-3-carboxamide N-[2-[(5-hydroxy-1-phenyl-pyrazo…

    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 6.01 -67.68 2 8 -1 109 388.407 4 ↓
    Mid Mid (pH 6-8) 1.98 5.96 -25.7 3 8 0 103 389.415 5 ↓

    Parameters Provided:

    ring.id = 197477
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 = 197477 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=197477&filter.purchasability=annotated

    Embed Link to Results

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