Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_bnbnfj1g82ieppq1omuadhfbd3, 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

    6037202
    6037202

    Draw Identity 99% 90% 80% 70%

    Popular Name: INN) INN)

    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) 2.83 -0.81 -45.8 0 3 -1 53 311.18 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: profen profen

    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) 4.49 -0.17 -48.86 0 3 -1 53 282.344 3 ↓

    Analogs

    1999252
    1999252

    Draw Identity 99% 90% 80% 70%

    Popular Name: RS-6245 RS-6245

    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) 0.86 -5.11 -39.79 3 4 1 58 217.314 6 ↓

    Analogs

    1846293
    1846293

    Draw Identity 99% 90% 80% 70%

    Popular Name: 156-S 156-S

    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) 2.97 -0.78 -47.92 0 4 -1 62 248.283 4 ↓

    Analogs

    2869069
    2869069
    9262458
    9262458

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[4-ethyl-5-[2-(2-methoxyanilino)-2-oxo-ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-nitrothiazol-2-yl 2-[[4-ethyl-5-[2-(2-methoxyanili…

    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 8.19 -25.01 2 12 0 157 477.528 10 ↓
    Hi High (pH 8-9.5) 1.98 6.98 -46.8 1 12 -1 163 476.52 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-bromo-N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide 3-bromo-N-(7-keto-5,5-dimethyl-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) 4.14 -1.31 -11.73 1 4 0 59 379.279 2 ↓

    Analogs

    4889859
    4889859
    204289
    204289

    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) 3.39 -0.51 -14.26 1 6 0 77 360.435 4 ↓

    Analogs

    6304626
    6304626
    6388196
    6388196

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)-4-phenoxy-benzamide N-(7-keto-5,5-dimethyl-4,6-dihyd…

    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) 5.11 0.11 -14.07 1 5 0 68 392.48 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(diethylsulfamoyl)-N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide 4-(diethylsulfamoyl)-N-(7-keto-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) 3.42 -4.16 -18.05 1 7 0 96 435.571 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(dimethylsulfamoyl)-N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide 4-(dimethylsulfamoyl)-N-(7-keto-…

    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) 2.67 -4.52 -18.32 1 7 0 96 407.517 4 ↓

    Analogs

    36633005
    36633005
    36633006
    36633006

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)-4-piperidinosulfonyl-benzamide N-(7-keto-5,5-dimethyl-4,6-dihyd…

    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) 3.57 -5.27 -17.53 1 7 0 96 447.582 4 ↓

    Analogs

    4889859
    4889859

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)-3-phenoxy-benzamide N-(7-keto-5,5-dimethyl-4,6-dihyd…

    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) 5.08 0.12 -16.81 1 5 0 68 392.48 4 ↓

    Analogs

    4889859
    4889859

    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) 3.00 -0.18 -16.2 1 6 0 77 360.435 4 ↓

    Analogs

    9714692
    9714692

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)-2-(tosylamino)benzamide N-(7-keto-5,5-dimethyl-4,6-dihyd…

    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) 4.52 -4.33 -20.39 2 7 0 105 469.588 5 ↓
    Hi High (pH 8-9.5) 4.52 -3.91 -58.56 1 7 -1 107 468.58 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(azepan-1-ylmethyl)thiazol-2-yl]-3-propyl-urea 1-[4-(azepan-1-ylmethyl)thiazol-…

    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) 2.83 6.17 -36.58 3 5 1 58 297.448 5 ↓
    Hi High (pH 8-9.5) 2.83 4.23 -7.73 2 5 0 57 296.44 5 ↓

    Analogs

    9426900
    9426900
    8990777
    8990777
    4736415
    4736415

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-nitrothiazol-2-yl)acetamid 2-[[5-(1,3-benzodioxol-5-yl)-4-i…

    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) 3.45 9.53 -17.94 1 11 0 137 462.513 8 ↓
    Hi High (pH 8-9.5) 3.63 8.32 -37.27 0 11 -1 143 461.505 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[1-(dimethylamino)cyclohexyl]methyl]-2-[2-(2-furyl)thiazol-4-yl]acetamide N-[[1-(dimethylamino)cyclohexyl]…

    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) 3.46 7.45 -48.52 2 5 1 60 348.492 6 ↓

    Analogs

    567763
    567763

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(dimethylamino)-N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide 4-(dimethylamino)-N-(7-keto-5,5-…

    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) 3.46 -0.56 -14.09 1 5 0 62 343.452 3 ↓

    Analogs

    9303314
    9303314

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-N-(4-ethyl-5-methyl-thiazol-2-yl)-2-[[4-ethyl-5-(morpholinomethyl)-1,2,4-triazol-3-yl]sulfanyl] (2R)-N-(4-ethyl-5-methyl-thiazol…

    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) 1.75 6.89 -13.24 1 8 0 85 424.596 8 ↓
    Lo Low (pH 4.5-6) 1.75 9.14 -48.66 2 8 1 86 425.604 8 ↓

    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) 3.97 -1.33 -14.51 1 4 0 59 360.504 5 ↓

    Analogs

    567763
    567763

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(diethylamino)-N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)benzamide 4-(diethylamino)-N-(7-keto-5,5-d…

    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) 4.21 -0.03 -13.58 1 5 0 62 371.506 5 ↓

    Analogs

    9303314
    9303314

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-N-(4-ethyl-5-methyl-thiazol-2-yl)-2-[[4-ethyl-5-(morpholinomethyl)-1,2,4-triazol-3-yl]sulfanyl] (2S)-N-(4-ethyl-5-methyl-thiazol…

    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) 1.75 6.89 -13.27 1 8 0 85 424.596 8 ↓
    Lo Low (pH 4.5-6) 1.75 9.14 -48.76 2 8 1 86 425.604 8 ↓

    Analogs

    1124533
    1124533

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-thiazol-2-yl-butanamid (2S)-2-[[5-[(4-methoxyphenoxy)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) 4.19 11.76 -23.45 1 8 0 91 481.603 10 ↓

    Analogs

    1124533
    1124533

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-thiazol-2-yl-butanamid (2R)-2-[[5-[(4-methoxyphenoxy)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) 4.19 11.79 -21.57 1 8 0 91 481.603 10 ↓

    Analogs

    8784812
    8784812

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[5-(benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acet 2-[[5-(benzofuran-2-yl)-4-methyl…

    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) 4.70 11.65 -16.45 1 7 0 86 435.534 5 ↓
    Hi High (pH 8-9.5) 4.89 10.24 -48.19 0 7 -1 92 434.526 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(2,5-diphenyl-1,3-thiazol-4-yl)-4-thioxo-3,4-dihydro-2(1H)-pyrimidinone 1-(2,5-diphenyl-1,3-thiazol-4-yl…

    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) 4.32 -2.04 -15.56 1 4 0 50 363.467 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-(thiazol-4-ylmethyl)aniline 4-[(1S)-1-aminoethyl]-2-chloro-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) 1.08 5.84 -47.04 3 3 1 44 282.82 4 ↓
    Hi High (pH 8-9.5) 1.08 5.51 -5.39 2 3 0 42 281.812 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-(azepan-1-ylmethyl)thiazol-2-yl]-3-cyclopropyl-urea 1-[4-(azepan-1-ylmethyl)thiazol-…

    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) 2.32 6.28 -36.42 3 5 1 58 295.432 4 ↓
    Hi High (pH 8-9.5) 2.32 4.35 -7.59 2 5 0 57 294.424 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-(thiazol-4-ylmethyl)aniline 4-[(1R)-1-aminoethyl]-2-chloro-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) 1.08 5.83 -46.52 3 3 1 44 282.82 4 ↓
    Hi High (pH 8-9.5) 1.08 5.53 -4.88 2 3 0 42 281.812 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-N-methyl-4-[(1S)-1-(methylamino)ethyl]-N-(thiazol-4-ylmethyl)aniline 2-chloro-N-methyl-4-[(1S)-1-(met…

    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) 3.33 7.6 -41.48 2 3 1 33 296.847 5 ↓
    Hi High (pH 8-9.5) 3.33 6.43 -4.5 1 3 0 28 295.839 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-N-methyl-4-[(1R)-1-(methylamino)ethyl]-N-(thiazol-4-ylmethyl)aniline 2-chloro-N-methyl-4-[(1R)-1-(met…

    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) 3.33 7.6 -41.09 2 3 1 33 296.847 5 ↓
    Hi High (pH 8-9.5) 3.33 6.43 -5.28 1 3 0 28 295.839 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-4-[(1S)-1-(ethylamino)ethyl]-N-methyl-N-(thiazol-4-ylmethyl)aniline 2-chloro-4-[(1S)-1-(ethylamino)e…

    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) 3.71 8.45 -40.07 2 3 1 33 310.874 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-4-[(1R)-1-(ethylamino)ethyl]-N-methyl-N-(thiazol-4-ylmethyl)aniline 2-chloro-4-[(1R)-1-(ethylamino)e…

    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) 3.71 8.45 -39.67 2 3 1 33 310.874 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-N-methyl-4-[(1S)-1-(propylamino)ethyl]-N-(thiazol-4-ylmethyl)aniline 2-chloro-N-methyl-4-[(1S)-1-(pro…

    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) 4.21 9.22 -40.83 2 3 1 33 324.901 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-chloro-N-methyl-4-[(1R)-1-(propylamino)ethyl]-N-(thiazol-4-ylmethyl)aniline 2-chloro-N-methyl-4-[(1R)-1-(pro…

    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) 4.21 9.2 -40.48 2 3 1 33 324.901 7 ↓

    Analogs

    904407
    904407
    904382
    904382
    4814720
    4814720

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-ethyl-5-methyl-thiazol-2-yl)-2-[[4-ethyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(4-ethyl-5-methyl-thiazol-2-yl…

    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) 4.19 11.15 -14.4 1 6 0 73 401.561 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(1S)-1-aminoethyl]-2-bromo-N-methyl-N-(thiazol-4-ylmethyl)aniline 4-[(1S)-1-aminoethyl]-2-bromo-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) 1.21 6.03 -46.9 3 3 1 44 327.271 4 ↓
    Hi High (pH 8-9.5) 1.21 5.69 -5.25 2 3 0 42 326.263 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(thiazol-4-ylmethyl)aniline 4-[(1R)-1-aminoethyl]-2-bromo-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) 1.21 6.01 -46.38 3 3 1 44 327.271 4 ↓
    Hi High (pH 8-9.5) 1.21 5.71 -4.83 2 3 0 42 326.263 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-bromo-N-methyl-4-[(1S)-1-(methylamino)ethyl]-N-(thiazol-4-ylmethyl)aniline 2-bromo-N-methyl-4-[(1S)-1-(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) 3.46 7.78 -41.41 2 3 1 33 341.298 5 ↓
    Hi High (pH 8-9.5) 3.46 6.61 -4.4 1 3 0 28 340.29 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-bromo-N-methyl-4-[(1R)-1-(methylamino)ethyl]-N-(thiazol-4-ylmethyl)aniline 2-bromo-N-methyl-4-[(1R)-1-(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) 3.46 7.78 -41.05 2 3 1 33 341.298 5 ↓
    Hi High (pH 8-9.5) 3.46 6.61 -5.21 1 3 0 28 340.29 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-bromo-4-[(1S)-1-(ethylamino)ethyl]-N-methyl-N-(thiazol-4-ylmethyl)aniline 2-bromo-4-[(1S)-1-(ethylamino)et…

    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) 3.84 8.63 -40.01 2 3 1 33 355.325 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-bromo-4-[(1R)-1-(ethylamino)ethyl]-N-methyl-N-(thiazol-4-ylmethyl)aniline 2-bromo-4-[(1R)-1-(ethylamino)et…

    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) 3.84 8.63 -39.61 2 3 1 33 355.325 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-bromo-N-methyl-4-[(1S)-1-(propylamino)ethyl]-N-(thiazol-4-ylmethyl)aniline 2-bromo-N-methyl-4-[(1S)-1-(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) 4.34 9.4 -40.79 2 3 1 33 369.352 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-bromo-N-methyl-4-[(1R)-1-(propylamino)ethyl]-N-(thiazol-4-ylmethyl)aniline 2-bromo-N-methyl-4-[(1R)-1-(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) 4.34 9.38 -40.36 2 3 1 33 369.352 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzothiazol-2-ylmethyl benzothiazol-2-ylmethyl

    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) 4.51 0.02 -15.48 0 5 0 56 369.833 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[4-[[(1R)-1,3-dimethylbutoxy]methyl]thiazol-2-yl]-N-methyl-methanamine 1-[4-[[(1R)-1,3-dimethylbutoxy]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) 2.37 5.23 -38.79 2 3 1 39 243.396 7 ↓
    Hi High (pH 8-9.5) 2.37 3.77 -3.28 1 3 0 34 242.388 7 ↓

    Analogs

    9302430
    9302430
    9289738
    9289738
    9302437
    9302437

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-ethyl-5-methyl-thiazol-2-yl)-2-[[4-methyl-5-[2-(2-methylanilino)-2-oxo-ethyl]-1,2,4-triazol-3-y N-(4-ethyl-5-methyl-thiazol-2-yl…

    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) 2.74 9.57 -23 2 8 0 102 444.586 8 ↓

    Analogs

    6701922
    6701922

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[[5-[(1S)-1-hydroxyethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-thiazol-2-yl-propanamide (2S)-2-[[5-[(1S)-1-hydroxyethyl]…

    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) 0.27 3.09 -20.22 2 7 0 93 313.408 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(1R)-1-aminoethyl]-2-chloro-N-methyl-N-[(2-methylthiazol-4-yl)methyl]aniline 4-[(1R)-1-aminoethyl]-2-chloro-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) 0.79 6.56 -48.63 3 3 1 44 296.847 4 ↓
    Hi High (pH 8-9.5) 0.79 6.26 -4.46 2 3 0 42 295.839 4 ↓

    Analogs

    6701922
    6701922

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[[5-[(1R)-1-hydroxyethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-thiazol-2-yl-propanamide (2S)-2-[[5-[(1R)-1-hydroxyethyl]…

    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) 0.27 3.11 -20.16 2 7 0 93 313.408 5 ↓

    Parameters Provided:

    ring.id = 81
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 = 81 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=81&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
  • 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