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Analogs

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Popular Name: 3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-vinylphenyl)methyl]pyrazole 3,5-bis[4-(difluoromethoxy)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) 7.41 13.21 -12.55 0 4 0 36 468.45 9 ↓

Analogs

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Popular Name: 4-chloro-1-[(2,4-dichlorophenyl)methyl]-3,5-bis(3,4-dimethylphenyl)pyrazole 4-chloro-1-[(2,4-dichlorophenyl)…

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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) 8.63 16.52 -6.18 0 2 0 18 469.843 4 ↓

Analogs

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Popular Name: 3,5-bis(3,4-dimethoxyphenyl)-4-methyl-1-[(4-vinylphenyl)methyl]pyrazole 3,5-bis(3,4-dimethoxyphenyl)-4-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) 5.85 12.9 -13.49 0 6 0 55 470.569 9 ↓

Analogs

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Popular Name: 3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole 3,5-bis[4-(difluoromethoxy)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) 6.61 11.44 -13.53 0 5 0 46 472.438 9 ↓

Analogs

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Popular Name: 3,5-bis(3,4-dimethoxyphenyl)-4-ethyl-1-(m-tolylmethyl)pyrazole 3,5-bis(3,4-dimethoxyphenyl)-4-e…

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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) 5.89 13.35 -12.82 0 6 0 55 472.585 9 ↓

Analogs

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Popular Name: 3,5-bis(3,4-dimethoxyphenyl)-1-[(2,5-dimethylphenyl)methyl]-4-methyl-pyrazole 3,5-bis(3,4-dimethoxyphenyl)-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) 5.82 12.8 -13.11 0 6 0 55 472.585 8 ↓

Analogs

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Popular Name: 4-chloro-3,5-bis(3-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole 4-chloro-3,5-bis(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) 6.87 12.92 -12.59 0 4 0 36 472.894 7 ↓

Analogs

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Popular Name: 4-chloro-1-[(2,4-dichlorophenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole 4-chloro-1-[(2,4-dichlorophenyl)…

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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) 7.28 12.57 -9.28 0 4 0 36 473.787 6 ↓

Analogs

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Popular Name: 3,5-bis(3,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-4-methyl-pyrazole 3,5-bis(3,4-dimethoxyphenyl)-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) 5.05 11.13 -14.28 0 7 0 64 474.557 9 ↓

Analogs

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Popular Name: 3,5-bis(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]-4-methyl-pyrazole 3,5-bis(3,4-dimethoxyphenyl)-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) 5.03 11.3 -14.92 0 7 0 64 474.557 9 ↓

Analogs

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Popular Name: 4-bromo-3,5-bis(4-methoxyphenyl)-1-[(4-vinylphenyl)methyl]pyrazole 4-bromo-3,5-bis(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) 7.03 13.03 -9.07 0 4 0 36 475.386 7 ↓

Analogs

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Popular Name: 4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-vinylphenyl)methyl]pyrazole 4-bromo-3,5-bis(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) 6.98 13.03 -11.52 0 4 0 36 475.386 7 ↓

Analogs

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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) 7.13 15.29 -10.43 0 4 0 44 475.386 6 ↓

Analogs

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Popular Name: 3,5-bis(3,4-dimethoxyphenyl)-1-[(3-nitrophenyl)methyl]pyrazole 3,5-bis(3,4-dimethoxyphenyl)-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) 4.56 12 -17.78 0 9 0 101 475.501 9 ↓

Analogs

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Popular Name: 3,5-bis(3,4-dimethoxyphenyl)-4-ethyl-1-[(2-fluorophenyl)methyl]pyrazole 3,5-bis(3,4-dimethoxyphenyl)-4-e…

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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) 5.58 12.49 -13.33 0 6 0 55 476.548 9 ↓

Analogs

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Popular Name: 4-chloro-3,5-bis(3,4-dimethoxyphenyl)-1-(m-tolylmethyl)pyrazole 4-chloro-3,5-bis(3,4-dimethoxyph…

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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) 5.65 12.59 -12.32 0 6 0 55 478.976 8 ↓

Analogs

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Popular Name: 1-[(4-chlorophenyl)methyl]-3,5-bis(3,4-dimethoxyphenyl)-4-methyl-pyrazole 1-[(4-chlorophenyl)methyl]-3,5-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) 5.68 12.33 -12.88 0 6 0 55 478.976 8 ↓

Analogs

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Popular Name: 4-chloro-3,5-bis(3,4-dimethoxyphenyl)-1-(o-tolylmethyl)pyrazole 4-chloro-3,5-bis(3,4-dimethoxyph…

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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) 5.63 12.1 -12.46 0 6 0 55 478.976 8 ↓

Analogs

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Popular Name: 4-chloro-3,5-bis(3,4-dimethoxyphenyl)-1-(p-tolylmethyl)pyrazole 4-chloro-3,5-bis(3,4-dimethoxyph…

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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) 5.68 12.45 -12.54 0 6 0 55 478.976 8 ↓

Analogs

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Popular Name: 4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole 4-bromo-3,5-bis(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) 6.19 11.26 -12.4 0 5 0 46 479.374 7 ↓

Analogs

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Popular Name: 4-bromo-3,5-bis(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole 4-bromo-3,5-bis(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) 6.23 11.27 -10.02 0 5 0 46 479.374 7 ↓

Analogs

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Popular Name: 3,5-bis(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-4-methyl-pyrazole 3,5-bis(3,4-dichlorophenyl)-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) 8.33 15.46 -9.46 0 2 0 18 480.197 4 ↓

Analogs

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Popular Name: 3,5-bis(3,4-dichlorophenyl)-1-[(3-fluorophenyl)methyl]-4-methyl-pyrazole 3,5-bis(3,4-dichlorophenyl)-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) 8.35 15.47 -8.7 0 2 0 18 480.197 4 ↓

Analogs

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Popular Name: 3,5-bis(3-bromophenyl)-1-(p-tolylmethyl)pyrazole 3,5-bis(3-bromophenyl)-1-(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) 7.35 14.87 -7.01 0 2 0 18 482.219 4 ↓

Analogs

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Popular Name: 1-benzyl-3,5-bis(4-bromophenyl)-4-methyl-pyrazole 1-benzyl-3,5-bis(4-bromophenyl)-…

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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) 7.32 14.72 -5.78 0 2 0 18 482.219 4 ↓

Analogs

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Popular Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-3,5-bis(2,4-dimethoxyphenyl)pyrazole 1-[(2-chloro-6-fluoro-phenyl)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) 6.16 11.06 -14.59 0 6 0 55 482.939 8 ↓

Analogs

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Popular Name: 1-[(2-chloro-4-fluoro-phenyl)methyl]-3,5-bis(3,4-dimethoxyphenyl)pyrazole 1-[(2-chloro-4-fluoro-phenyl)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) 5.39 12.02 -13.76 0 6 0 55 482.939 8 ↓

Analogs

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Popular Name: 1-[(2-chloro-4-fluoro-phenyl)methyl]-3,5-bis(2,4-dimethoxyphenyl)pyrazole 1-[(2-chloro-4-fluoro-phenyl)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) 6.18 11.09 -13.12 0 6 0 55 482.939 8 ↓

Analogs

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Popular Name: 4-bromo-1-[(4-chlorophenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole 4-bromo-1-[(4-chlorophenyl)methy…

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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) 6.81 12.47 -10.97 0 4 0 36 483.793 6 ↓

Analogs

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Popular Name: 4-bromo-1-[(4-chlorophenyl)methyl]-3,5-bis(4-methoxyphenyl)pyrazole 4-bromo-1-[(4-chlorophenyl)methy…

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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) 6.86 12.46 -8.71 0 4 0 36 483.793 6 ↓

Analogs

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Popular Name: 3,5-bis(3,4-dimethoxyphenyl)-1-[(2,5-dimethylphenyl)methyl]-4-ethyl-pyrazole 3,5-bis(3,4-dimethoxyphenyl)-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) 6.29 14.08 -12.17 0 6 0 55 486.612 9 ↓

Analogs

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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) 4.77 12.13 -17.52 0 8 0 81 488.54 10 ↓

Analogs

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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) 4.79 12.14 -17.07 0 8 0 81 488.54 10 ↓

Analogs

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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) 5.58 11.27 -16.42 0 8 0 81 488.54 10 ↓

Analogs

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Popular Name: 3,5-bis(3,4-dimethoxyphenyl)-4-ethyl-1-[(4-methoxyphenyl)methyl]pyrazole 3,5-bis(3,4-dimethoxyphenyl)-4-e…

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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) 5.52 12 -14.13 0 7 0 64 488.584 10 ↓

Analogs

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Popular Name: 3,5-bis(3,4-dimethoxyphenyl)-4-ethyl-1-[(3-methoxyphenyl)methyl]pyrazole 3,5-bis(3,4-dimethoxyphenyl)-4-e…

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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) 5.50 12.01 -15.01 0 7 0 64 488.584 10 ↓

Analogs

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Popular Name: 3,5-bis(3,4-dimethoxyphenyl)-4-methyl-1-[(4-nitrophenyl)methyl]pyrazole 3,5-bis(3,4-dimethoxyphenyl)-4-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) 4.96 12.49 -16.22 0 9 0 101 489.528 9 ↓

Analogs

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Popular Name: 3,5-bis(3,4-dimethoxyphenyl)-4-methyl-1-[(3-nitrophenyl)methyl]pyrazole 3,5-bis(3,4-dimethoxyphenyl)-4-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) 4.93 12.63 -17.27 0 9 0 101 489.528 9 ↓

Analogs

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Popular Name: 1-[(4-chlorophenyl)methyl]-3,5-bis(3,4-dimethoxyphenyl)-4-ethyl-pyrazole 1-[(4-chlorophenyl)methyl]-3,5-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) 6.14 13.08 -12.75 0 6 0 55 493.003 9 ↓

Analogs

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Popular Name: 4-chloro-3,5-bis(3,4-dimethoxyphenyl)-1-[(2,5-dimethylphenyl)methyl]pyrazole 4-chloro-3,5-bis(3,4-dimethoxyph…

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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) 6.05 12.7 -12.28 0 6 0 55 493.003 8 ↓

Analogs

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Popular Name: 4-chloro-3,5-bis(3,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole 4-chloro-3,5-bis(3,4-dimethoxyph…

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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) 5.28 11.1 -14 0 7 0 64 494.975 9 ↓

Analogs

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Popular Name: 3,5-bis(4-bromophenyl)-4-methyl-1-(o-tolylmethyl)pyrazole 3,5-bis(4-bromophenyl)-4-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) 7.72 15.48 -5.22 0 2 0 18 496.246 4 ↓

Analogs

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Popular Name: 3,5-bis(4-bromophenyl)-4-methyl-1-(p-tolylmethyl)pyrazole 3,5-bis(4-bromophenyl)-4-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) 7.77 15.22 -5.95 0 2 0 18 496.246 4 ↓

Analogs

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Popular Name: 3,5-bis(4-bromophenyl)-4-methyl-1-(m-tolylmethyl)pyrazole 3,5-bis(4-bromophenyl)-4-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) 7.75 15.2 -5.99 0 2 0 18 496.246 4 ↓

Analogs

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Popular Name: 1-[(4-chlorophenyl)methyl]-3,5-bis(3,4-dichlorophenyl)-4-methyl-pyrazole 1-[(4-chlorophenyl)methyl]-3,5-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) 8.67 15.78 -5.79 0 2 0 18 496.652 4 ↓

Analogs

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Popular Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-3,5-bis(3,4-dimethoxyphenyl)-4-methyl-pyrazole 1-[(2-chloro-6-fluoro-phenyl)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) 5.74 12.37 -13.66 0 6 0 55 496.966 8 ↓

Analogs

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Popular Name: 2-[2-(4-nitrobenzyl)-5-phenyl-pyrazol-3-yl]phenol 2-[2-(4-nitrobenzyl)-5-phenyl-py…

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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) 5.02 10.93 -13.35 1 6 0 84 371.396 5 ↓

Analogs

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Popular Name: 3-[[4-[(1S)-1-[3,5-bis[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethyl]benzoyl]amino]propanoic 3-[[4-[(1S)-1-[3,5-bis[4-(triflu…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GLR-2-E Glucagon Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 250 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GLR_HUMAN P47871 Glucagon Receptor, Human 250 0.21 Binding ≤ 1μM
GLR_HUMAN P47871 Glucagon Receptor, Human 250 0.21 Binding ≤ 10μM

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) 6.34 12.91 -56.18 1 8 -1 106 606.499 12 ↓

Analogs

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Popular Name: 3-[[4-[(1R)-1-[3,5-bis[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethyl]benzoyl]amino]propanoic 3-[[4-[(1R)-1-[3,5-bis[4-(triflu…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GLR-2-E Glucagon Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 250 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GLR_HUMAN P47871 Glucagon Receptor, Human 250 0.21 Binding ≤ 1μM
GLR_HUMAN P47871 Glucagon Receptor, Human 250 0.21 Binding ≤ 10μM

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) 6.34 12.93 -56.16 1 8 -1 106 606.499 12 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[[3,5-bis[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]benzoyl]amino]acetic 2-[[4-[[3,5-bis[4-(trifluorometh…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GLR-2-E Glucagon Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 3000 0.19 Binding ≤ 10μM
GLR-1-E Glucagon Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 560 0.21 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GLR_HUMAN P47871 Glucagon Receptor, Human 3000 0.19 Binding ≤ 10μM
GLR_HUMAN P47871 Glucagon Receptor, Human 560 0.21 Functional ≤ 10μM

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) 4.79 11.49 -50.77 1 8 -1 106 578.445 11 ↓

Parameters Provided:

ring.id = 110329
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 = 110329 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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