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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
    UCSF
    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

    44245836
    44245836

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide N-[3-(trifluoromethoxy)phenyl]-3…

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    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) 4.03 8.19 -8.12 1 4 0 42 336.313 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N,N-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-c N,N-bis(6,7-dimethoxy-3,4-dihydr…

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    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 2.12 -12.14 1 5 0 50 414.811 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-bromo-4-fluoro-phenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide N-(2-bromo-4-fluoro-phenyl)-3,4-…

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    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) 3.98 9.23 -6.1 1 3 0 32 349.203 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-aminophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide N-(3-aminophenyl)-3,4-dihydro-1H…

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    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) 2.13 6.25 -11.84 3 4 0 58 267.332 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 6,7-dimethoxy-N-(2-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide 6,7-dimethoxy-N-(2-nitrophenyl)-…

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    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) 2.62 8.7 -12.9 1 8 0 97 357.366 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

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    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 5.33 -15.63 2 8 0 97 400.431 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

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    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 6.62 -15.93 2 8 0 97 400.431 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-acetamido-2-chloro-phenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide N-(5-acetamido-2-chloro-phenyl)-…

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    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) 2.91 7.97 -11.57 2 5 0 61 343.814 2 ↓

    Analogs

    4542374
    4542374

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-chloro-4-(methylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide N-[3-chloro-4-(methylcarbamoyl)p…

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    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 7.25 -19.02 2 5 0 61 343.814 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-ethoxy-3-fluoro-phenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide N-(4-ethoxy-3-fluoro-phenyl)-3,4…

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    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) 3.61 8.74 -14.13 1 4 0 42 314.36 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-methyl-4-propoxy-phenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide N-(2-methyl-4-propoxy-phenyl)-3,…

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    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) 4.39 10.35 -9.63 1 4 0 42 324.424 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(diallylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide N-[4-(diallylcarbamoyl)phenyl]-3…

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    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 11.02 -15.14 1 5 0 53 375.472 6 ↓

    Analogs

    52268018
    52268018

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-[(1R)-1-methylpropoxy]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide N-[4-[(1R)-1-methylpropoxy]pheny…

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    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) 4.38 10.09 -10.06 1 4 0 42 324.424 4 ↓

    Analogs

    52268018
    52268018

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-[(1S)-1-methylpropoxy]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide N-[4-[(1S)-1-methylpropoxy]pheny…

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    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) 4.38 10.06 -9.41 1 4 0 42 324.424 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide N-[4-methyl-2-(2,2,2-trifluoroet…

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    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 9.92 -9.61 1 4 0 42 364.367 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-[ethyl(methyl)amino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide N-[3-[ethyl(methyl)amino]phenyl]…

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    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 9.83 -9.7 1 4 0 36 309.413 3 ↓
    Lo Low (pH 4.5-6) 3.54 10.25 -27.9 2 4 0 37 310.421 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3S)-2-[(2-carbomethoxyphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic-acid-methyl-ester (3S)-2-[(2-carbomethoxyphenyl)ca…

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    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) 3.23 2.51 -13.84 1 7 0 84 368.389 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    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) 3.91 9.99 -9.34 1 3 0 32 280.371 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2,5-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide N-(2,5-dimethoxyphenyl)-3,4-dihy…

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    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) 3.12 7.08 -11.41 1 5 0 51 312.369 3 ↓

    Analogs

    34973616
    34973616

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    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) 3.91 9.68 -9.28 1 3 0 32 280.371 1 ↓

    Analogs

    37010105
    37010105

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    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) 4.00 9.89 -9.05 1 3 0 32 280.371 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    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) 3.91 9.7 -9.03 1 3 0 32 280.371 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-ethoxy-N-[4-(isopropylcarbamoyl)-3-methyl-phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide 7-ethoxy-N-[4-(isopropylcarbamoy…

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    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) 3.73 9.23 -12.87 2 6 0 71 395.503 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-ethoxy-N-[3-(isopropylcarbamoyl)-4-methyl-phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide 7-ethoxy-N-[3-(isopropylcarbamoy…

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    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) 3.73 9.24 -13.45 2 6 0 71 395.503 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-hydroxy-N-(3-methylsulfanylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide 7-hydroxy-N-(3-methylsulfanylphe…

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    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 6.62 -10.06 2 4 0 53 314.41 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-(isopropoxymethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide N-[3-(isopropoxymethyl)phenyl]-3…

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    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 9.9 -9.38 1 4 0 42 324.424 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2,5-difluorophenyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide N-(2,5-difluorophenyl)-7-hydroxy…

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    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 5.75 -9.61 2 4 0 53 304.296 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-chloro-2-fluoro-phenyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide N-(4-chloro-2-fluoro-phenyl)-7-h…

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    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) 3.35 6.19 -7.54 2 4 0 53 320.751 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(dimethylamino)phenyl]-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide N-[2-(dimethylamino)phenyl]-7-et…

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    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 9.91 -8.74 1 5 0 45 339.439 4 ↓
    Lo Low (pH 4.5-6) 3.54 10.24 -42.41 2 5 1 46 340.447 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-fluoro-4-methyl-phenyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide N-(3-fluoro-4-methyl-phenyl)-7-h…

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    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) 3.12 6.31 -13.09 2 4 0 53 300.333 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-fluoro-5-sulfamoyl-phenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide N-(3-fluoro-5-sulfamoyl-phenyl)-…

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    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) 1.87 3.43 -16.43 3 6 0 93 349.387 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-hydroxy-N-(2-methylsulfanylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide 7-hydroxy-N-(2-methylsulfanylphe…

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    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) 2.96 6.63 -9.76 2 4 0 53 314.41 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-chloro-2-(2-methoxyethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide N-[3-chloro-2-(2-methoxyethoxy)p…

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    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) 3.61 8.74 -9.22 1 5 0 51 360.841 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[2-(difluoromethoxy)-6-methyl-phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide N-[2-(difluoromethoxy)-6-methyl-…

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    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) 4.05 10.19 -12.08 1 4 0 42 332.35 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-(difluoromethoxy)-2-methyl-phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide N-[3-(difluoromethoxy)-2-methyl-…

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    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) 4.05 8.92 -11.3 1 4 0 42 332.35 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-chlorophenyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide N-(3-chlorophenyl)-7-hydroxy-3,4…

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    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) 3.23 6.11 -11.77 2 4 0 53 302.761 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-fluorophenyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide N-(2-fluorophenyl)-7-hydroxy-3,4…

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    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) 2.69 5.71 -9.05 2 4 0 53 286.306 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-hydroxy-N-(m-tolyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide 7-hydroxy-N-(m-tolyl)-3,4-dihydr…

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    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 6.27 -10.41 2 4 0 53 282.343 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7-hydroxy-N-(p-tolyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide 7-hydroxy-N-(p-tolyl)-3,4-dihydr…

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    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) 3.03 6.27 -10.5 2 4 0 53 282.343 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-chlorophenyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide N-(2-chlorophenyl)-7-hydroxy-3,4…

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    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) 3.21 6.21 -8.59 2 4 0 53 302.761 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-fluorophenyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide N-(3-fluorophenyl)-7-hydroxy-3,4…

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    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) 2.72 5.66 -12.96 2 4 0 53 286.306 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-amino-N-(2-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide 5-amino-N-(2-fluorophenyl)-3,4-d…

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    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) 2.63 6.55 -8.1 3 4 0 58 285.322 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-amino-N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide 5-amino-N-(4-fluorophenyl)-3,4-d…

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    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) 2.68 6.44 -9.89 3 4 0 58 285.322 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-amino-N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide 5-amino-N-(4-chlorophenyl)-3,4-d…

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    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) 3.19 6.91 -9.39 3 4 0 58 301.777 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-amino-N-(3-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide 5-amino-N-(3-fluorophenyl)-3,4-d…

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    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 6.51 -12.06 3 4 0 58 285.322 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-amino-N-(p-tolyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide 5-amino-N-(p-tolyl)-3,4-dihydro-…

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    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) 2.96 7.11 -9.65 3 4 0 58 281.359 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-amino-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide 5-amino-N-phenyl-3,4-dihydro-1H-…

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    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) 2.52 6.44 -9.64 3 4 0 58 267.332 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-amino-N-(2-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide 5-amino-N-(2-chlorophenyl)-3,4-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) 3.15 7.05 -7.69 3 4 0 58 301.777 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-amino-N-(3-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide 5-amino-N-(3-chlorophenyl)-3,4-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) 3.17 6.95 -10.88 3 4 0 58 301.777 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-amino-N-(m-tolyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide 5-amino-N-(m-tolyl)-3,4-dihydro-…

    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) 2.94 7.11 -9.57 3 4 0 58 281.359 1 ↓

    Parameters Provided:

    ring.id = 3798
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 = 3798 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=3798&filter.purchasability=annotated

    Embed Link to Results

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