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    Analogs

    2019965
    2019965

    Draw Identity 99% 90% 80% 70%

    Popular Name: MI) MI)

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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 2.38 -45.67 2 5 1 51 335.431 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(4-fluorophenyl)-N-hexyl-2-(p-tolyl)pyrazole-3-carboxamide 5-(4-fluorophenyl)-N-hexyl-2-(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) 5.83 1.63 -11.27 1 4 0 46 379.479 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-butylamino-N-[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl]-acetamide 2-butylamino-N-[2-(2,4-dimethylp…

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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) 4.91 0.98 -51.76 3 5 1 63 377.512 8 ↓

    Analogs

    12067075
    12067075

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,3-dimethyl-butanamide N-[(1,3-diphenylpyrazol-4-yl)met…

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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) 4.04 3.3 -13.42 0 4 0 38 347.462 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-hexa-2,4-dienamide N-[(1,3-diphenylpyrazol-4-yl)met…

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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) 3.80 13.44 -15.59 0 4 0 38 357.457 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[2-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]acetyl]amino]-N-prop-2-ynyl-acetamide 2-[[2-[3-(4-fluorophenyl)-1-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) 2.48 7.71 -15.09 2 6 0 76 390.418 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acetamide N-(2-methoxyethyl)-2-[3-(4-metho…

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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) 2.59 7.02 -15.94 1 6 0 65 365.433 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-isopropyl-2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acetamide N-isopropyl-2-[3-(4-methoxypheny…

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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) 3.28 8.76 -15.3 1 5 0 56 349.434 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(3-methoxypropyl)acetamide 2-[3-(4-methoxyphenyl)-1-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) 2.86 7.78 -15.96 1 6 0 65 379.46 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-isobutyl-2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acetamide N-isobutyl-2-[3-(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) 3.73 9.46 -15.1 1 5 0 56 363.461 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-propyl-acetamide 2-[3-(4-methoxyphenyl)-1-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) 3.48 8.72 -15.38 1 5 0 56 349.434 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(2,2,2-trifluoroethyl)acetamide 2-[3-(4-methoxyphenyl)-1-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) 3.53 8.41 -14.49 1 5 0 56 389.377 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl 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) 2.43 8.7 -21.99 1 7 0 82 393.443 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(2-methoxy-5-methyl-phenyl)-2-phenyl-pyrazol-3-amine 5-(2-methoxy-5-methyl-phenyl)-2-…

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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) 3.37 8.4 -11.98 2 4 0 53 279.343 3 ↓
    Mid Mid (pH 6-8) 3.37 8.32 -22.16 3 4 1 54 280.351 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl 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) 3.26 11.11 -12.77 0 7 0 90 337.335 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methylamino]propanamide (2S)-2-[[1-(2,5-dimethylphenyl)-…

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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) 3.69 -0.88 -46.01 4 5 1 78 349.458 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[1-(2,4-difluorophenyl)-3-(o-tolyl)pyrazol-4-yl]methyl]-3-ethoxy-propan-1-amine N-[[1-(2,4-difluorophenyl)-3-(o-…

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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) 4.32 11.63 -51.7 2 4 1 44 386.466 9 ↓
    Hi High (pH 8-9.5) 4.32 11.01 -11.62 1 4 0 39 385.458 9 ↓

    Analogs

    11947579
    11947579
    12002884
    12002884
    15068960
    15068960

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-ethyl-amino]ethanol 2-[[1-(2,5-dimethylphenyl)-3-phe…

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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) 4.06 1.68 -37.47 2 4 1 42 350.486 7 ↓

    Analogs

    11817304
    11817304

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methylamino]-3-ethoxy-propan-2-ol (2S)-1-[[1-(2,5-dimethylphenyl)-…

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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) 3.78 -0.96 -48.3 3 5 1 64 380.512 9 ↓

    Analogs

    11817303
    11817303

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methylamino]-3-ethoxy-propan-2-ol (2R)-1-[[1-(2,5-dimethylphenyl)-…

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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) 3.78 -1.04 -49.47 3 5 1 64 380.512 9 ↓

    Analogs

    12301348
    12301348
    15078040
    15078040

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[3-(3-fluorophenyl)-1-(m-tolyl)pyrazol-4-yl]methyl-methyl-amino]ethanol 2-[[3-(3-fluorophenyl)-1-(m-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) 3.21 2.3 -45.17 2 4 1 42 340.422 6 ↓

    Analogs

    12001054
    12001054
    12442039
    12442039
    12453256
    12453256

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl]-N-methyl-ethanamine N-[[3-(3-fluoro-4-methoxy-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) 4.20 4.9 -37.19 1 4 1 31 354.449 6 ↓

    Analogs

    11842418
    11842418

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-1-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol (2S)-1-[[3-(2-chlorophenyl)-1-(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) 3.35 -0.93 -45.55 3 4 1 55 360.84 6 ↓

    Analogs

    11842417
    11842417

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-1-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol (2R)-1-[[3-(2-chlorophenyl)-1-(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) 3.35 -0.89 -46.67 3 4 1 55 360.84 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylamino]propanamide (2S)-2-[[3-(3-methoxyphenyl)-1-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) 2.48 -1.66 -52.05 4 6 1 87 351.43 7 ↓

    Analogs

    12576273
    12576273

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-ethoxy-propan-1-amine N-[[3-(2-chlorophenyl)-1-(4-meth…

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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) 4.14 0.32 -50.28 2 5 1 53 400.93 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(2-methoxyethyl)-1-methyl-urea 1-[(1,3-diphenylpyrazol-4-yl)met…

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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) 3.25 9.56 -14.56 1 6 0 59 364.449 7 ↓

    Analogs

    8074755
    8074755

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-allyl-3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide N-allyl-3-(3-methoxyphenyl)-1-ph…

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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) 3.13 8.16 -15.85 1 5 0 56 333.391 6 ↓

    Analogs

    15068960
    15068960
    11816606
    11816606
    11947579
    11947579

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-methyl-amino]ethanol 2-[[1-(2,5-dimethylphenyl)-3-phe…

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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) 3.68 2.02 -37.76 2 4 1 42 336.459 6 ↓

    Analogs

    15063530
    15063530
    31887047
    31887047

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-methoxy-N-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-N-methyl-ethanamine 2-methoxy-N-[[3-(3-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) 3.08 3.48 -44.04 1 5 1 41 352.458 8 ↓

    Analogs

    4589546
    4589546

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-methoxyethyl)-3-phenyl-1-(p-tolyl)pyrazole-4-carboxamide N-(2-methoxyethyl)-3-phenyl-1-(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) 2.89 8.03 -15.07 1 5 0 56 335.407 6 ↓

    Analogs

    25393581
    25393581

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide N-[(1,3-diphenylpyrazol-4-yl)met…

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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) 2.18 1.25 -12.23 1 4 0 47 291.354 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide N-[(1,3-diphenylpyrazol-4-yl)met…

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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) 3.02 1.33 -11.94 1 4 0 47 305.381 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]butanamide N-[(1,3-diphenylpyrazol-4-yl)met…

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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) 3.58 1.48 -11.7 1 4 0 47 319.408 6 ↓

    Analogs

    12023675
    12023675

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methyl-propanamide N-[(1,3-diphenylpyrazol-4-yl)met…

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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) 3.26 1.71 -11.48 1 4 0 47 319.408 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]pentanamide N-[(1,3-diphenylpyrazol-4-yl)met…

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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) 4.09 1.6 -11.78 1 4 0 47 333.435 7 ↓

    Analogs

    12023666
    12023666

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2,2-dimethyl-propanamide N-[(1,3-diphenylpyrazol-4-yl)met…

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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) 4.17 2.21 -11.17 1 4 0 47 333.435 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3,3-dimethyl-butanamide N-[(1,3-diphenylpyrazol-4-yl)met…

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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) 4.12 2.22 -10.51 1 4 0 47 347.462 6 ↓

    Analogs

    22414293
    22414293
    22414296
    22414296

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-ethyl-butanamide N-[(1,3-diphenylpyrazol-4-yl)met…

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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) 4.27 11.82 -10.75 1 4 0 47 347.462 7 ↓

    Analogs

    25393581
    25393581

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methoxy-acetamide N-[(1,3-diphenylpyrazol-4-yl)met…

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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 1.17 -14.54 1 5 0 56 321.38 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) 2.61 2.27 -12.72 1 6 0 73 377.444 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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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 -0.85 -12.21 2 5 0 59 334.423 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethyl-urea 3-[(1,3-diphenylpyrazol-4-yl)met…

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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 8.48 -12.35 2 5 0 59 320.396 5 ↓

    Analogs

    14797639
    14797639

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(3,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenyl-pyrazole-4-carboxamide 3-(3,4-dimethoxyphenyl)-N-(3-met…

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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 7.36 -18.31 1 7 0 75 395.459 9 ↓

    Analogs

    21185162
    21185162
    11922258
    11922258

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-methoxypropyl)-3-phenyl-1-(p-tolyl)pyrazole-4-carboxamide N-(3-methoxypropyl)-3-phenyl-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) 3.16 8.78 -15.33 1 5 0 56 349.434 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-N-(3-methoxypropyl)acetamide 2-[3-(4-chlorophenyl)-1-phenyl-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) 3.48 8.97 -15.59 1 5 0 56 383.879 8 ↓

    Analogs

    30766716
    30766716
    57336649
    57336649

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-butyl-3-(3-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide N-butyl-3-(3-methoxyphenyl)-1-ph…

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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 9.16 -16.85 1 5 0 56 349.434 7 ↓

    Analogs

    44196770
    44196770

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-butyl-3-(2,5-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxamide N-butyl-3-(2,5-dimethoxyphenyl)-…

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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 8.51 -20.22 1 6 0 65 379.46 8 ↓

    Analogs

    30766721
    30766721
    42927256
    42927256

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-butyl-3-(o-tolyl)-1-phenyl-pyrazole-4-carboxamide N-butyl-3-(o-tolyl)-1-phenyl-pyr…

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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) 4.29 10.54 -15.5 1 4 0 47 333.435 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-butyl-3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carboxamide N-butyl-3-(2-methoxyphenyl)-1-ph…

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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) 3.90 9.21 -18.07 1 5 0 56 349.434 7 ↓

    Parameters Provided:

    ring.id = 174
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 = 174 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?ring.id=174&filter.purchasability=annotated

    Embed Link to Results

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