• 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

    12628495
    12628495
    12628498
    12628498

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[2-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)imino-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide 3-[2-(4-chlorophenyl)ethyl]-2-(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) 3.56 -1.56 -10.31 1 6 0 71 431.945 6 ↓

    Analogs

    33722174
    33722174
    33722175
    33722175

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide 3-[2-(3,4-dimethoxyphenyl)ethyl]…

    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 1.03 -14.02 1 7 0 80 495.523 8 ↓

    Analogs

    33715769
    33715769
    33715770
    33715770
    33722174
    33722174
    33722175
    33722175

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide 3-[2-(4-methoxyphenyl)ethyl]-N-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) 3.75 0.77 -11.76 1 6 0 71 465.497 7 ↓

    Analogs

    33715769
    33715769
    33715770
    33715770
    33718254
    33718254
    33718255
    33718255
    33722174
    33722174

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-methyl-4-oxo-3-phenethyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide N-methyl-4-oxo-3-phenethyl-2-[3-…

    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) 3.70 0.75 -10.48 1 5 0 61 435.471 6 ↓

    Analogs

    33718448
    33718448
    33718449
    33718449
    33739565
    33739565
    33739566
    33739566
    33780021
    33780021

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[(4-fluorophenyl)methyl]-N-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carbox 3-[(4-fluorophenyl)methyl]-N-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) 3.46 9.47 -10.08 1 5 0 62 439.434 5 ↓

    Analogs

    33715549
    33715549
    33715550
    33715550
    33718448
    33718448
    33718449
    33718449
    33739565
    33739565

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-benzyl-N-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide 3-benzyl-N-methyl-4-oxo-2-[3-(tr…

    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) 3.29 9.4 -10.26 1 5 0 62 421.444 5 ↓

    Analogs

    33686665
    33686665
    33686666
    33686666
    33711908
    33711908
    33711909
    33711909
    33751047
    33751047

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-chlorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide 2-(3-chlorophenyl)imino-3-[2-(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) 3.54 -1.6 -11.7 1 6 0 71 431.945 6 ↓

    Analogs

    33680279
    33680279
    33680281
    33680281
    33686665
    33686665
    33686666
    33686666
    33751047
    33751047

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide 3-[2-(3,4-dimethoxyphenyl)ethyl]…

    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) 2.47 -1.13 -13.74 1 7 0 80 427.526 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl 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) 3.52 0.21 -10.96 1 7 0 88 431.901 5 ↓

    Analogs

    34870664
    34870664

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-bromophenyl)-2-[(4-methoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide N-(4-bromophenyl)-2-[(4-methoxyp…

    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) 3.58 8.14 -10.94 1 6 0 71 448.342 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2Z,6S)-2-(4-chlorophenyl)imino-N-(3-methoxyphenyl)-4-oxo-3-phenethyl-1,3-thiazinane-6-carboxamide (2Z,6S)-2-(4-chlorophenyl)imino-…

    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) 5.23 12.05 -11.46 1 6 0 71 494.016 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2Z,6R)-2-(4-chlorophenyl)imino-N-(3-methoxyphenyl)-4-oxo-3-phenethyl-1,3-thiazinane-6-carboxamide (2Z,6R)-2-(4-chlorophenyl)imino-…

    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) 5.23 12.03 -11.15 1 6 0 71 494.016 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: allyl allyl

    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) 5.12 12.26 -13.39 0 6 0 68 428.554 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: allyl allyl

    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) 5.12 12.17 -12.08 0 6 0 68 428.554 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: isopropyl isopropyl

    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) 5.22 12.36 -12.28 0 6 0 68 430.57 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: isopropyl isopropyl

    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) 5.22 12.25 -12.19 0 6 0 68 430.57 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: isobutyl isobutyl

    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) 4.78 11.74 -11.36 0 6 0 68 430.57 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: isobutyl isobutyl

    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) 4.78 12.23 -13.33 0 6 0 68 430.57 8 ↓

    Analogs

    12412073
    12412073
    12412074
    12412074

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

    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) 3.53 9.38 -18.46 1 9 0 107 469.519 7 ↓
    Lo Low (pH 4.5-6) -0.13 9.65 -45.47 2 9 1 106 470.527 8 ↓

    Analogs

    12412073
    12412073
    12412074
    12412074

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

    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) 3.53 9.33 -15.23 1 9 0 107 469.519 7 ↓
    Lo Low (pH 4.5-6) -0.13 9.66 -47.59 2 9 1 106 470.527 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2Z,6S)-2-(3,4-dimethylphenyl)imino-N-(4-iodophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (2Z,6S)-2-(3,4-dimethylphenyl)im…

    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) 4.63 9.92 -10.94 1 5 0 62 493.37 3 ↓
    Lo Low (pH 4.5-6) 0.96 10.73 -38.2 2 5 1 61 494.378 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2Z,6R)-2-(3,4-dimethylphenyl)imino-N-(4-iodophenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (2Z,6R)-2-(3,4-dimethylphenyl)im…

    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) 4.63 10.01 -10.89 1 5 0 62 493.37 3 ↓
    Lo Low (pH 4.5-6) 0.96 10.82 -35.04 2 5 1 61 494.378 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2Z,6S)-2-(3,4-dichlorophenyl)imino-N-(4-ethoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (2Z,6S)-2-(3,4-dichlorophenyl)im…

    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) 4.44 8.77 -11.91 1 6 0 71 452.363 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2Z,6R)-2-(3,4-dichlorophenyl)imino-N-(4-ethoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide (2Z,6R)-2-(3,4-dichlorophenyl)im…

    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) 4.44 8.86 -11.45 1 6 0 71 452.363 5 ↓

    Analogs

    9805450
    9805450

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2Z,6R)-2-(4-methoxyphenyl)imino-4-oxo-N-phenyl-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide (2Z,6R)-2-(4-methoxyphenyl)imino…

    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) 5.10 12.31 -12.38 1 6 0 71 473.598 8 ↓
    Lo Low (pH 4.5-6) 1.43 13.32 -39.12 2 6 1 70 474.606 9 ↓

    Analogs

    9805450
    9805450

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2Z,6S)-2-(4-methoxyphenyl)imino-4-oxo-N-phenyl-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide (2Z,6S)-2-(4-methoxyphenyl)imino…

    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) 5.10 12.43 -12.86 1 6 0 71 473.598 8 ↓
    Lo Low (pH 4.5-6) 1.43 13.29 -39.92 2 6 1 70 474.606 9 ↓

    Analogs

    33725875
    33725875
    33725876
    33725876
    34889754
    34889754
    34889755
    34889755

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2Z,6R)-3-benzyl-N-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide (2Z,6R)-3-benzyl-N-(4-methoxyphe…

    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) 4.23 10.71 -12.08 1 7 0 80 475.57 7 ↓

    Analogs

    8867297
    8867297

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2Z,6S)-N-[4-(chloro-difluoro-methoxy)phenyl]-3-isobutyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazina (2Z,6S)-N-[4-(chloro-difluoro-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) 5.18 9.98 -12.66 1 7 0 80 511.978 8 ↓

    Analogs

    33695599
    33695599
    12585398
    12585398
    12585405
    12585405

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl 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) 2.95 8.14 -13.85 1 8 0 97 427.482 6 ↓

    Analogs

    33695599
    33695599
    12585398
    12585398
    12585405
    12585405

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl 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) 2.95 8.13 -14.67 1 8 0 97 427.482 6 ↓

    Analogs

    6500789
    6500789
    6500821
    6500821
    6594531
    6594531

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-methoxyphenyl)-2-[(2-methoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide N-(4-methoxyphenyl)-2-[(2-methox…

    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) 2.79 6.93 -13.56 1 7 0 80 399.472 5 ↓
    Ref Reference (pH 7) 2.79 6.32 -14.42 1 7 0 80 399.472 5 ↓

    Analogs

    33691667
    33691667
    33691668
    33691668
    33769597
    33769597
    33769598
    33769598
    33777990
    33777990

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2Z,6S)-N-(3-chlorophenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide (2Z,6S)-N-(3-chlorophenyl)-3-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) 3.37 8.75 -13.04 1 5 0 62 373.865 3 ↓

    Analogs

    33691667
    33691667
    33691668
    33691668
    33777990
    33777990
    33777991
    33777991
    34857718
    34857718

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2Z,6R)-N-(3-chlorophenyl)-3-methyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide (2Z,6R)-N-(3-chlorophenyl)-3-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) 3.37 8.74 -11.74 1 5 0 62 373.865 3 ↓

    Analogs

    33693029
    33693029
    33693031
    33693031
    4572990
    4572990
    12631885
    12631885

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl 4-{[6-(anilinocarbonyl)-3-methyl-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate methyl 4-{[6-(anilinocarbonyl)-3…

    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) 2.89 8.85 -12.72 1 7 0 88 397.456 5 ↓
    Ref Reference (pH 7) 2.89 8.3 -13.39 1 7 0 88 397.456 5 ↓

    Analogs

    33693029
    33693029
    33693031
    33693031
    4572990
    4572990
    12631885
    12631885

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl 4-{[6-(anilinocarbonyl)-3-methyl-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate methyl 4-{[6-(anilinocarbonyl)-3…

    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) 2.89 8.84 -13.58 1 7 0 88 397.456 5 ↓
    Ref Reference (pH 7) 2.89 8.22 -13.46 1 7 0 88 397.456 5 ↓

    Analogs

    9122344
    9122344

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl 4-{[6-(anilinocarbonyl)-3-methyl-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate ethyl 4-{[6-(anilinocarbonyl)-3-…

    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) 3.27 9.78 -12.39 1 7 0 88 411.483 6 ↓
    Ref Reference (pH 7) 3.27 9.25 -13.23 1 7 0 88 411.483 6 ↓

    Analogs

    9122344
    9122344

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl 4-{[6-(anilinocarbonyl)-3-methyl-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate ethyl 4-{[6-(anilinocarbonyl)-3-…

    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) 3.27 9.78 -13.33 1 7 0 88 411.483 6 ↓
    Ref Reference (pH 7) 3.27 9.16 -13.22 1 7 0 88 411.483 6 ↓

    Analogs

    33686007
    33686007
    33693168
    33693168
    33693170
    33693170
    33701670
    33701670
    33701672
    33701672

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(4-bromophenyl)imino]-3-methyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide 2-[(4-bromophenyl)imino]-3-methy…

    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) 3.53 8.85 -10.81 1 5 0 62 418.316 3 ↓
    Ref Reference (pH 7) 3.53 8.22 -10.27 1 5 0 62 418.316 3 ↓

    Analogs

    33686007
    33686007
    33693168
    33693168
    33693170
    33693170
    33701670
    33701670
    33701672
    33701672

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(4-bromophenyl)imino]-3-methyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide 2-[(4-bromophenyl)imino]-3-methy…

    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) 3.53 8.86 -9.4 1 5 0 62 418.316 3 ↓
    Ref Reference (pH 7) 3.53 8.29 -10.13 1 5 0 62 418.316 3 ↓

    Analogs

    33775299
    33775299
    33775300
    33775300
    6500789
    6500789
    6500821
    6500821
    6594531
    6594531

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(2-methoxyphenyl)imino]-3-methyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide 2-[(2-methoxyphenyl)imino]-3-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) 2.73 7.58 -14 1 6 0 71 369.446 4 ↓

    Analogs

    33775299
    33775299
    33775300
    33775300
    6594531
    6594531
    6594537
    6594537

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(2-methoxyphenyl)imino]-3-methyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide 2-[(2-methoxyphenyl)imino]-3-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) 2.73 7.63 -12.61 1 6 0 71 369.446 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[(2Z,6R)-2-(4-fluorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic 4-[[(2Z,6R)-2-(4-fluorophenyl)im…

    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) 2.79 8.85 -55.01 1 7 -1 102 400.411 4 ↓

    Analogs

    33711408
    33711408
    33711410
    33711410

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[(2Z,6S)-2-(4-bromophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic 4-[[(2Z,6S)-2-(4-bromophenyl)imi…

    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) 3.44 9.4 -55.74 1 7 -1 102 461.317 4 ↓

    Analogs

    33711408
    33711408
    33711410
    33711410

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[(2Z,6R)-2-(4-bromophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic 4-[[(2Z,6R)-2-(4-bromophenyl)imi…

    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) 3.44 9.4 -54.42 1 7 -1 102 461.317 4 ↓

    Analogs

    33730269
    33730269
    33730270
    33730270
    9058999
    9058999

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[(2Z,6R)-2-(4-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic 4-[[(2Z,6R)-2-(4-chlorophenyl)im…

    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) 3.31 9.3 -54.61 1 7 -1 102 416.866 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) 2.66 7.52 -57.63 1 8 -1 111 412.447 5 ↓
    Ref Reference (pH 7) 2.66 8.07 -55.8 1 8 -1 111 412.447 5 ↓

    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) 2.66 8.06 -57.62 1 8 -1 111 412.447 5 ↓
    Ref Reference (pH 7) 2.66 7.44 -57.72 1 8 -1 111 412.447 5 ↓

    Analogs

    33677917
    33677917
    33677918
    33677918
    34888292
    34888292
    34888293
    34888293

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[({2-[(3-chlorophenyl)imino]-3-methyl-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid 4-[({2-[(3-chlorophenyl)imino]-3…

    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 9.28 -56.2 1 7 -1 102 416.866 4 ↓
    Ref Reference (pH 7) 3.28 8.67 -56 1 7 -1 102 416.866 4 ↓

    Analogs

    33677917
    33677917
    33677918
    33677918
    34888292
    34888292
    34888293
    34888293

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[({2-[(3-chlorophenyl)imino]-3-methyl-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid 4-[({2-[(3-chlorophenyl)imino]-3…

    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 9.29 -54.27 1 7 -1 102 416.866 4 ↓
    Ref Reference (pH 7) 3.28 8.73 -56 1 7 -1 102 416.866 4 ↓

    Analogs

    33695489
    33695489
    33695490
    33695490
    6349424
    6349424

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[({2-[(3-fluorophenyl)imino]-3-methyl-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid 4-[({2-[(3-fluorophenyl)imino]-3…

    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) 2.77 8.84 -56.72 1 7 -1 102 400.411 4 ↓
    Ref Reference (pH 7) 2.77 8.21 -56.58 1 7 -1 102 400.411 4 ↓

    Parameters Provided:

    ring.id = 4768
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 = 4768 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=4768&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