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

    37131637
    37131637
    37136119
    37136119

    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) 0.58 -5.1 -16.48 2 7 0 93 294.336 4 ↓

    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) 1.44 -3.72 -17.14 1 7 0 84 342.808 4 ↓

    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) 3.46 1.61 -9.43 1 4 0 46 291.782 4 ↓

    Analogs

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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) 3.46 1.26 -7.77 1 4 0 46 291.782 4 ↓

    Analogs

    20616457
    20616457
    36615503
    36615503

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[[4-(difluoromethoxy)phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[[4-(difluoromethoxy)phenyl]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) 1.63 4.24 -69.78 1 7 -1 96 310.236 5 ↓

    Analogs

    36615425
    36615425

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazole-4-carboxylic 1-methyl-5-[[3-(trifluoromethyl)…

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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) 1.89 4.49 -56.81 1 6 -1 87 312.227 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[[3,5-bis(methoxycarbonyl)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) 1.29 5.95 -69.91 1 10 -1 140 360.302 7 ↓

    Analogs

    36615507
    36615507

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(2-ethoxyphenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(2-ethoxyphenyl)carbamoyl]-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) 1.40 3.9 -58.9 1 7 -1 96 288.283 5 ↓

    Analogs

    20614629
    20614629
    36615498
    36615498
    36617513
    36617513

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(3,5-dimethylphenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(3,5-dimethylphenyl)carbamoyl…

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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) 1.84 6 -65.18 1 6 -1 87 272.284 3 ↓

    Analogs

    36615346
    36615346
    36617521
    36617521

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(3-chloro-2-methyl-phenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(3-chloro-2-methyl-phenyl)car…

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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) 2.05 5.94 -60.82 1 6 -1 87 292.702 3 ↓

    Analogs

    36615346
    36615346
    36617521
    36617521

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(4-chlorophenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(4-chlorophenyl)carbamoyl]-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) 1.70 5.2 -63.22 1 6 -1 87 278.675 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(5-chloro-2-methoxy-phenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(5-chloro-2-methoxy-phenyl)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) 1.68 3.43 -57.72 1 7 -1 96 308.701 4 ↓

    Analogs

    36615495
    36615495
    36615646
    36615646

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(3-bromophenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(3-bromophenyl)carbamoyl]-1-m…

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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) 1.80 4.1 -54.32 1 6 -1 87 323.126 3 ↓

    Analogs

    36615507
    36615507

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(2,4-dimethoxyphenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(2,4-dimethoxyphenyl)carbamoy…

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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) 1.06 2.24 -56.97 1 8 -1 106 304.282 5 ↓

    Analogs

    20614718
    20614718
    36615496
    36615496
    36615498
    36615498
    36617513
    36617513
    20614504
    20614504

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-methyl-5-(m-tolylcarbamoyl)pyrazole-4-carboxylic 1-methyl-5-(m-tolylcarbamoyl)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) 1.44 5.33 -65.27 1 6 -1 87 258.257 3 ↓

    Analogs

    20615030
    20615030
    36617513
    36617513

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(2,5-dimethylphenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(2,5-dimethylphenyl)carbamoyl…

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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) 1.84 5.11 -56.46 1 6 -1 87 272.284 3 ↓

    Analogs

    36615515
    36615515
    20602720
    20602720

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-methyl-5-[(2,4,6-trimethylphenyl)carbamoyl]pyrazole-4-carboxylic 1-methyl-5-[(2,4,6-trimethylphen…

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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) 1.28 6.78 -63.97 1 6 -1 87 286.311 3 ↓

    Analogs

    36615346
    36615346
    36617521
    36617521

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(3-chloro-4-methyl-phenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(3-chloro-4-methyl-phenyl)car…

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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) 2.07 4.66 -53.64 1 6 -1 87 292.702 3 ↓

    Analogs

    36615515
    36615515

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(2-isopropyl-6-methyl-phenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(2-isopropyl-6-methyl-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) 1.47 7.53 -63.02 1 6 -1 87 300.338 4 ↓

    Analogs

    36615346
    36615346
    36615646
    36615646

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(4-bromo-3-chloro-phenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(4-bromo-3-chloro-phenyl)carb…

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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 4.56 -51.31 1 6 -1 87 357.571 3 ↓

    Analogs

    36615346
    36615346
    36617521
    36617521

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(5-chloro-2-methyl-phenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(5-chloro-2-methyl-phenyl)car…

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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) 2.07 4.89 -55.58 1 6 -1 87 292.702 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(4-chloro-2,5-dimethoxy-phenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(4-chloro-2,5-dimethoxy-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) 1.66 3.96 -61.01 1 8 -1 106 338.727 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(3-fluoro-4-methyl-phenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(3-fluoro-4-methyl-phenyl)car…

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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) 1.56 4.25 -53.89 1 6 -1 87 276.247 3 ↓

    Analogs

    36615346
    36615346

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(3-chloro-4-fluoro-phenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(3-chloro-4-fluoro-phenyl)car…

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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) 1.79 4.05 -51.45 1 6 -1 87 296.665 3 ↓

    Analogs

    36615503
    36615503

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(3-chloro-4-methoxy-phenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(3-chloro-4-methoxy-phenyl)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) 1.68 3.35 -54.31 1 7 -1 96 308.701 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(4-methoxy-2-methyl-phenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(4-methoxy-2-methyl-phenyl)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) 1.45 3.65 -55.45 1 7 -1 96 288.283 4 ↓

    Analogs

    36615346
    36615346

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(3,4-dichlorophenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(3,4-dichlorophenyl)carbamoyl…

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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) 2.30 4.46 -51.36 1 6 -1 87 313.12 3 ↓

    Analogs

    36615498
    36615498
    36617513
    36617513
    20614629
    20614629

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(3,4-dimethylphenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(3,4-dimethylphenyl)carbamoyl…

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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) 1.84 5.99 -65.94 1 6 -1 87 272.284 3 ↓

    Analogs

    20614726
    20614726
    36615495
    36615495
    36615515
    36615515
    36615524
    36615524
    36617521
    36617521

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(2,6-dimethylphenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(2,6-dimethylphenyl)carbamoyl…

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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) 0.88 6.24 -62.85 1 6 -1 87 272.284 3 ↓

    Analogs

    36615495
    36615495
    36615515
    36615515
    36615524
    36615524
    36615644
    36615644
    36617514
    36617514

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-methyl-5-(o-tolylcarbamoyl)pyrazole-4-carboxylic 1-methyl-5-(o-tolylcarbamoyl)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) 1.42 4.38 -56.4 1 6 -1 87 258.257 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(3,5-dimethoxyphenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(3,5-dimethoxyphenyl)carbamoy…

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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) 1.06 3.3 -67.75 1 8 -1 106 304.282 5 ↓

    Analogs

    36615524
    36615524
    36615644
    36615644
    36617514
    36617514

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[[4-(acetyl-methyl-amino)phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[[4-(acetyl-methyl-amino)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) 0.48 4.95 -79.67 1 8 -1 107 315.309 4 ↓

    Analogs

    36615504
    36615504
    36615507
    36615507
    36615509
    36615509

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-methyl-5-[(4-methyl-3-nitro-phenyl)carbamoyl]pyrazole-4-carboxylic 1-methyl-5-[(4-methyl-3-nitro-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) 1.35 4.73 -56.48 1 9 -1 133 303.254 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(4-fluoro-2-methyl-phenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(4-fluoro-2-methyl-phenyl)car…

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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) 1.56 4.42 -52.96 1 6 -1 87 276.247 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(2-cyano-4-nitro-phenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(2-cyano-4-nitro-phenyl)carba…

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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) 0.66 4.62 -52.31 1 10 -1 157 314.237 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(2,3-dimethoxyphenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(2,3-dimethoxyphenyl)carbamoy…

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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) 0.84 2.96 -60.2 1 8 -1 106 304.282 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(2,6-dibromo-4-nitro-phenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(2,6-dibromo-4-nitro-phenyl)c…

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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) 2.45 5.38 -49.09 1 9 -1 133 447.019 4 ↓

    Analogs

    20614971
    20614971
    36615425
    36615425
    36615515
    36615515
    36615524
    36615524
    36615644
    36615644

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(4-isopropylphenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(4-isopropylphenyl)carbamoyl]…

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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) 2.53 6.61 -65.52 1 6 -1 87 286.311 4 ↓

    Analogs

    36615507
    36615507

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(2,5-dimethoxyphenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(2,5-dimethoxyphenyl)carbamoy…

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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) 1.06 2.22 -61.25 1 8 -1 106 304.282 5 ↓

    Analogs

    36615501
    36615501

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(2-methoxy-5-methyl-phenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(2-methoxy-5-methyl-phenyl)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) 1.45 3.63 -59.18 1 7 -1 96 288.283 4 ↓

    Analogs

    36615425
    36615425
    36615515
    36615515
    36615524
    36615524
    36615644
    36615644
    36617513
    36617513

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(4-ethylphenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(4-ethylphenyl)carbamoyl]-1-m…

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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) 1.93 6.11 -65.46 1 6 -1 87 272.284 4 ↓

    Analogs

    36615498
    36615498
    36617513
    36617513
    20614632
    20614632

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(2,3-dimethylphenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(2,3-dimethylphenyl)carbamoyl…

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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) 1.82 5.06 -56.99 1 6 -1 87 272.284 3 ↓

    Analogs

    36617513
    36617513

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(3-ethylphenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(3-ethylphenyl)carbamoyl]-1-m…

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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) 1.91 4.96 -55.86 1 6 -1 87 272.284 4 ↓

    Analogs

    36615497
    36615497
    36615515
    36615515

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(2-tert-butylphenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(2-tert-butylphenyl)carbamoyl…

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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 7.48 -64.46 1 6 -1 87 300.338 4 ↓

    Analogs

    36615509
    36615509

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(2-fluoro-5-nitro-phenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(2-fluoro-5-nitro-phenyl)carb…

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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) 1.07 5.42 -68.4 1 9 -1 133 307.217 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(2-cyanophenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(2-cyanophenyl)carbamoyl]-1-m…

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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) 0.72 3.96 -59.34 1 7 -1 111 269.24 3 ↓

    Analogs

    36615646
    36615646

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[(4-bromo-2-chloro-phenyl)carbamoyl]-1-methyl-pyrazole-4-carboxylic 5-[(4-bromo-2-chloro-phenyl)carb…

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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 4.73 -50.79 1 6 -1 87 357.571 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-3-[4-(1H-pyrazole-3-carbonylamino)phenyl]prop-2-enoic (E)-3-[4-(1H-pyrazole-3-carbonyl…

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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) 1.42 4.83 -53.67 2 6 -1 98 256.241 4 ↓

    Analogs

    4130354
    4130354
    35249178
    35249178
    20353731
    20353731

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-hydroxy-4-(1H-pyrazole-3-carbonylamino)benzoic 2-hydroxy-4-(1H-pyrazole-3-carbo…

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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) 1.36 1.61 -55.68 3 7 -1 118 246.202 3 ↓

    Analogs

    48674614
    48674614
    45760
    45760

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(1H-pyrazole-3-carbonylamino)benzoic 3-(1H-pyrazole-3-carbonylamino)b…

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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) 1.34 3.54 -61.83 2 6 -1 98 230.203 3 ↓

    Parameters Provided:

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    Structural Results Found: (before additional filtering)

    SQL Query Was

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    //zinc12.docking.org/results/combination?ring.id=3918&filter.purchasability=annotated

    Embed Link to Results

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