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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    Analogs

    13681740
    13681740

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-[(4-dimethylaminophenyl)methylene]-7,7-dioxo-7$l^{6}-thia-8-azabicyclo[4.4.0]deca-2,4,11-trien-10- 9-[(4-dimethylaminophenyl)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) 2.90 -3.87 -13.22 1 5 0 66 328.393 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-benzylidene-7,7-dioxo-7$l^{6}-thia-8-azabicyclo[4.4.0]deca-2,4,11-trien-10-one 9-benzylidene-7,7-dioxo-7$l^{6}-…

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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) 2.80 -3.93 -12.15 1 4 0 63 285.324 1 ↓
    Hi High (pH 8-9.5) 2.80 -3.34 -45.63 0 4 -1 65 284.316 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 9-[(4-methoxyphenyl)methylene]-7,7-dioxo-7$l^{6}-thia-8-azabicyclo[4.4.0]deca-2,4,11-trien-10-one 9-[(4-methoxyphenyl)methylene]-7…

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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) 2.86 -3.9 -13.58 1 5 0 72 315.35 2 ↓
    Hi High (pH 8-9.5) 2.86 -3.31 -45.74 0 5 -1 74 314.342 2 ↓

    Analogs

    6361874
    6361874

    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) 3.44 -2.92 -10.83 1 5 0 71 329.422 7 ↓
    Hi High (pH 8-9.5) 3.44 -2.34 -37.53 0 5 -1 74 328.414 7 ↓

    Analogs

    5940205
    5940205
    39916632
    39916632
    39916633
    39916633

    Draw Identity 99% 90% 80% 70%


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

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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) 3.33 -3.64 -11.98 1 6 0 81 341.458 8 ↓
    Hi High (pH 8-9.5) 3.33 -3.06 -41.62 0 6 -1 83 340.45 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-amino-N-[4-oxo-5-(2-oxo-4-phenyl-but-3-enylidene)-1H-imidazol-2-yl]-benzenesulfonamide 4-amino-N-[4-oxo-5-(2-oxo-4-phen…

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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) 1.18 -6.26 -16.75 4 8 0 135 396.428 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-{4-[({4-[2-(2-fluorophenyl)vinyl]-2-pyrimidinyl}amino)sulfonyl]phenyl}acetamide N-{4-[({4-[2-(2-fluorophenyl)vin…

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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) 2.87 8.14 -66.47 1 7 -1 103 411.438 6 ↓
    Lo Low (pH 4.5-6) 2.87 8.48 -20.94 2 7 0 101 412.446 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-methoxyphenyl)-5-phenylsulfonylamino-1H-triazole-4-carboxamide N-(4-methoxyphenyl)-5-phenylsulf…

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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) 1.86 1.72 -54.07 2 9 -1 128 372.386 6 ↓
    Mid Mid (pH 6-8) 2.04 1.99 -43.95 2 9 -1 128 372.386 5 ↓
    Mid Mid (pH 6-8) 1.86 1.75 -121.49 1 9 -2 126 371.378 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-methoxyethyl)-5-phenylsulfonylamino-1H-triazole-4-carboxamide N-(2-methoxyethyl)-5-phenylsulfo…

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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) 0.09 -1.37 -53.84 2 9 -1 128 324.342 7 ↓
    Hi High (pH 8-9.5) 0.27 -1.11 -44.25 2 9 -1 128 324.342 6 ↓
    Mid Mid (pH 6-8) 0.09 -1.4 -121.92 1 9 -2 126 323.334 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-methyl-5-phenylsulfonylamino-1H-triazole-4-carboxamide N-methyl-5-phenylsulfonylamino-1…

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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) 0.11 -1.3 -52.86 2 8 -1 119 280.289 4 ↓
    Hi High (pH 8-9.5) 0.28 -1.02 -42.87 2 8 -1 118 280.289 3 ↓
    Mid Mid (pH 6-8) 0.11 -1.31 -119.1 1 8 -2 117 279.281 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-fluorophenyl)-5-phenylsulfonylamino-1H-triazole-4-carboxamide N-(4-fluorophenyl)-5-phenylsulfo…

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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) 1.97 2.52 -50.96 2 8 -1 119 360.35 5 ↓
    Hi High (pH 8-9.5) 2.15 2.78 -40.66 2 8 -1 118 360.35 4 ↓
    Mid Mid (pH 6-8) 1.97 2.49 -126.11 1 8 -2 117 359.342 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2,4-dimethylphenyl)-5-phenylsulfonylamino-1H-triazole-4-carboxamide N-(2,4-dimethylphenyl)-5-phenyls…

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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 4 -53.78 2 8 -1 119 370.414 5 ↓
    Mid Mid (pH 6-8) 2.81 4.27 -43.92 2 8 -1 118 370.414 4 ↓
    Mid Mid (pH 6-8) 2.63 3.89 -123.09 1 8 -2 117 369.406 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-naphthyl)-5-phenylsulfonylamino-1H-triazole-4-carboxamide N-(1-naphthyl)-5-phenylsulfonyla…

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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 4.87 -54.45 2 8 -1 119 392.42 5 ↓
    Hi High (pH 8-9.5) 3.14 5.13 -45.02 2 8 -1 118 392.42 4 ↓
    Mid Mid (pH 6-8) 2.96 4.84 -135.74 1 8 -2 117 391.412 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-benzyl-5-phenylsulfonylamino-1H-triazole-4-carboxamide N-benzyl-5-phenylsulfonylamino-1…

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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) 1.51 2.55 -52.53 2 8 -1 119 356.387 6 ↓
    Hi High (pH 8-9.5) 1.68 2.82 -42.95 2 8 -1 118 356.387 5 ↓
    Mid Mid (pH 6-8) 1.51 2.53 -121.04 1 8 -2 117 355.379 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(m-tolyl)-5-phenylsulfonylamino-1H-triazole-4-carboxamide N-(m-tolyl)-5-phenylsulfonylamin…

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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) 2.23 3.11 -53.44 2 8 -1 119 356.387 5 ↓
    Mid Mid (pH 6-8) 2.23 3.11 -121.94 1 8 -2 117 355.379 5 ↓
    Mid Mid (pH 6-8) 2.41 3.37 -43.66 2 8 -1 118 356.387 4 ↓

    Analogs

    4497834
    4497834

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(m-tolyl)-5-(p-tolylsulfonylamino)-1H-triazole-4-carboxamide N-(m-tolyl)-5-(p-tolylsulfonylam…

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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 3.81 -53.85 2 8 -1 119 370.414 5 ↓
    Hi High (pH 8-9.5) 2.86 4.07 -43.88 2 8 -1 118 370.414 4 ↓
    Mid Mid (pH 6-8) 2.68 3.78 -133.15 1 8 -2 117 369.406 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-methyl-5-(p-tolylsulfonylamino)-1H-triazole-4-carboxamide N-methyl-5-(p-tolylsulfonylamino…

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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) 0.56 -0.61 -53.01 2 8 -1 119 294.316 4 ↓
    Hi High (pH 8-9.5) 0.73 -0.35 -41.79 2 8 -1 118 294.316 3 ↓
    Mid Mid (pH 6-8) 0.56 -0.64 -120.12 1 8 -2 117 293.308 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-benzyl-5-(p-tolylsulfonylamino)-1H-triazole-4-carboxamide N-benzyl-5-(p-tolylsulfonylamino…

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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) 1.95 3.23 -52.58 2 8 -1 119 370.414 6 ↓
    Hi High (pH 8-9.5) 2.13 3.49 -41.52 2 8 -1 118 370.414 5 ↓
    Mid Mid (pH 6-8) 1.95 3.2 -122.13 1 8 -2 117 369.406 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-phenyl-5-(p-tolylsulfonylamino)-1H-triazole-4-carboxamide N-phenyl-5-(p-tolylsulfonylamino…

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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) 2.25 3.13 -53.41 2 8 -1 119 356.387 5 ↓
    Hi High (pH 8-9.5) 2.43 3.39 -43.39 2 8 -1 118 356.387 4 ↓
    Mid Mid (pH 6-8) 2.25 3.1 -132.05 1 8 -2 117 355.379 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-methoxyethyl)-5-(p-tolylsulfonylamino)-1H-triazole-4-carboxamide N-(2-methoxyethyl)-5-(p-tolylsul…

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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) 0.54 -0.68 -53.9 2 9 -1 128 338.369 7 ↓
    Hi High (pH 8-9.5) 0.72 -0.44 -42.83 2 9 -1 128 338.369 6 ↓
    Mid Mid (pH 6-8) 0.54 -0.73 -122.96 1 9 -2 126 337.361 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2,4-dimethylphenyl)-5-(p-tolylsulfonylamino)-1H-triazole-4-carboxamide N-(2,4-dimethylphenyl)-5-(p-toly…

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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) 3.08 4.66 -53.82 2 8 -1 119 384.441 5 ↓
    Hi High (pH 8-9.5) 3.26 4.91 -43.81 2 8 -1 118 384.441 4 ↓
    Mid Mid (pH 6-8) 3.08 4.62 -133.41 1 8 -2 117 383.433 5 ↓

    Analogs

    4499983
    4499983

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3,4-dimethylphenyl)-5-(p-tolylsulfonylamino)-1H-triazole-4-carboxamide N-(3,4-dimethylphenyl)-5-(p-toly…

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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) 3.08 4.35 -54.2 2 8 -1 119 384.441 5 ↓
    Hi High (pH 8-9.5) 3.26 4.61 -44.31 2 8 -1 118 384.441 4 ↓
    Mid Mid (pH 6-8) 3.08 4.31 -133.81 1 8 -2 117 383.433 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(p-tolyl)-5-(p-tolylsulfonylamino)-1H-triazole-4-carboxamide N-(p-tolyl)-5-(p-tolylsulfonylam…

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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) 2.70 3.79 -53.74 2 8 -1 119 370.414 5 ↓
    Mid Mid (pH 6-8) 2.70 3.76 -123.7 1 8 -2 117 369.406 5 ↓
    Mid Mid (pH 6-8) 2.88 4.05 -43.74 2 8 -1 118 370.414 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-naphthyl)-5-(p-tolylsulfonylamino)-1H-triazole-4-carboxamide N-(1-naphthyl)-5-(p-tolylsulfony…

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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) 3.41 5.55 -54.59 2 8 -1 119 406.447 5 ↓
    Hi High (pH 8-9.5) 3.59 5.8 -44.9 2 8 -1 118 406.447 4 ↓
    Mid Mid (pH 6-8) 3.41 5.52 -135.95 1 8 -2 117 405.439 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-amino-N-[4-[2-(4-methoxyphenyl)vinyl]pyrimidin-2-yl]-benzenesulfonamide 4-amino-N-[4-[2-(4-methoxyphenyl…

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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) 2.85 -5.02 -16 3 7 0 107 382.445 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) 0.23 -1.29 -14.92 3 9 0 124 292.299 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) 3.31 0.82 -7.14 1 6 0 76 304.375 7 ↓

    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) 2.56 1.08 -8.36 1 6 0 76 294.311 6 ↓

    Analogs

    4478292
    4478292

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(3-hydroxyphenyl)-2-(4-methylthiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol 5-(3-hydroxyphenyl)-2-(4-methylt…

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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) 2.79 -2.63 -13.92 2 5 0 68 343.33 3 ↓

    Analogs

    4478290
    4478290

    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) 3.01 -1.92 -16.08 2 7 0 95 401.366 6 ↓

    Analogs

    4478288
    4478288

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-methylthiazol-2-yl)-5-(p-tolyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol 2-(4-methylthiazol-2-yl)-5-(p-to…

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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) 3.74 -0.33 -11.23 1 4 0 48 341.358 3 ↓

    Analogs

    4478284
    4478284
    4478285
    4478285

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(p-tolyl)-2-[4-(p-tolyl)thiazol-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol 5-(p-tolyl)-2-[4-(p-tolyl)thiazo…

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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) 5.64 0.35 -12.64 1 4 0 48 417.456 4 ↓

    Analogs

    4478286
    4478286
    4478287
    4478287
    4478284
    4478284

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-phenyl-2-(4-phenylthiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol 5-phenyl-2-(4-phenylthiazol-2-yl…

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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) 4.74 -0.29 -12.7 1 4 0 48 389.402 4 ↓

    Analogs

    4478282
    4478282

    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) 3.04 2.93 -15.1 2 7 0 95 401.366 6 ↓
    Mid Mid (pH 6-8) 3.04 3.32 -43.6 1 7 -1 98 400.358 6 ↓

    Analogs

    33435766
    33435766
    33435767
    33435767
    4478280
    4478280

    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) 3.57 0.07 -14.65 1 7 0 84 415.393 7 ↓

    Analogs

    8694190
    8694190
    8694191
    8694191
    4478276
    4478276
    4478277
    4478277

    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) 3.97 0.37 -13.24 1 6 0 75 399.394 6 ↓

    Analogs

    4478278
    4478278
    4478279
    4478279
    8694190
    8694190
    8694191
    8694191
    4478276
    4478276

    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) 3.52 0.05 -13.32 1 6 0 75 385.367 6 ↓

    Analogs

    4478274
    4478274

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(2-hydroxyphenyl)-2-(4-methylthiazol-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol 5-(2-hydroxyphenyl)-2-(4-methylt…

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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 -2.4 -12.82 2 5 0 68 343.33 3 ↓

    Analogs

    4478272
    4478272

    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) 3.53 0.29 -15.63 1 7 0 84 415.393 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(4-chlorobenzyl)-4H-thieno[3',2':3,4]cyclohepta[1,2-b]thiophen-4-one 5-(4-chlorobenzyl)-4H-thieno[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) 5.95 0.41 -10.94 0 1 0 17 342.872 2 ↓

    Analogs

    13566876
    13566876
    13566877
    13566877
    13566878
    13566878
    13566879
    13566879
    38906279
    38906279

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,6-bis(4-chlorophenyl)-3-methyl-5-propyl-piperidin-4-one 2,6-bis(4-chlorophenyl)-3-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) 6.65 8.65 -6.69 2 3 0 45 391.342 4 ↓

    Analogs

    4478265
    4478265
    13566876
    13566876
    13566877
    13566877
    13566878
    13566878
    13566879
    13566879

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,6-bis(4-chlorophenyl)-3-methyl-5-propyl-piperidin-4-one 2,6-bis(4-chlorophenyl)-3-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) 6.65 8.84 -4.3 2 3 0 45 391.342 4 ↓

    Analogs

    4478263
    4478263
    4478264
    4478264
    4478265
    4478265
    13566876
    13566876
    13566877
    13566877

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,6-bis(4-chlorophenyl)-3-methyl-5-propyl-piperidin-4-one 2,6-bis(4-chlorophenyl)-3-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) 6.65 8.65 -6.29 2 3 0 45 391.342 4 ↓
    Hi High (pH 8-9.5) 6.65 8.59 -7.94 2 3 0 45 391.342 4 ↓
    Mid Mid (pH 6-8) 6.65 9.89 -47.88 3 3 1 49 392.35 4 ↓

    Analogs

    4478261
    4478261
    4836800
    4836800
    4836801
    4836801
    4836803
    4836803
    4836804
    4836804

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-methyl-2,6-diphenyl-4-(2-phenylethynyl)-5-propyl-piperidin-4-ol 3-methyl-2,6-diphenyl-4-(2-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) 6.93 0.1 -42.07 3 2 1 36 410.581 4 ↓

    Analogs

    4478259
    4478259
    4478260
    4478260
    4478261
    4478261
    4836800
    4836800
    4836801
    4836801

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-methyl-2,6-diphenyl-4-(2-phenylethynyl)-5-propyl-piperidin-4-ol 3-methyl-2,6-diphenyl-4-(2-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) 6.93 0.53 -38.5 3 2 1 36 410.581 4 ↓

    Analogs

    40077415
    40077415
    9011867
    9011867

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-butyl-4-[hydroxy-(4-methoxyphenyl)-methylene]-5-(4-methoxyphenyl)-pyrrolidine-2,3-dione 1-butyl-4-[hydroxy-(4-methoxyphe…

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    And 7 More

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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) 3.93 8.25 -59.48 0 6 -1 79 394.447 8 ↓
    Mid Mid (pH 6-8) 4.38 1.35 -18.72 1 6 0 76 395.455 7 ↓

    Analogs

    4478253
    4478253

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-amino-6-methyl-pyrimidin-4-yl)-5-(2-thienyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol 2-(2-amino-6-methyl-pyrimidin-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) 2.36 -2.58 -8.21 3 6 0 87 343.334 3 ↓

    Analogs

    4478251
    4478251

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-amino-6-methyl-pyrimidin-4-yl)-5-(2-methoxyphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol 2-(2-amino-6-methyl-pyrimidin-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) 2.47 -1.51 -11.11 3 7 0 96 367.331 4 ↓

    Analogs

    4478244
    4478244

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-amino-6-methyl-pyrimidin-4-yl)-5-(p-tolyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol 2-(2-amino-6-methyl-pyrimidin-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) 2.91 -1.44 -8.57 3 6 0 87 351.332 3 ↓

    Analogs

    4478246
    4478246

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(2-amino-6-methyl-pyrimidin-4-yl)-5-(4-methoxyphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol 2-(2-amino-6-methyl-pyrimidin-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) 2.51 -1.74 -9.82 3 7 0 96 367.331 4 ↓

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