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Analogs

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Popular Name: (1R)-1-[3-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-phenyl]-N-methyl-ethanamine (1R)-1-[3-chloro-4-(2,5-dimethyl…

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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) 3.59 7.64 -45.59 2 3 1 34 296.847 4 ↓
Hi High (pH 8-9.5) 3.59 6.47 -5.28 1 3 0 30 295.839 4 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-phenyl]-N-methyl-ethanamine (1S)-1-[3-chloro-4-(2,5-dimethyl…

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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) 3.59 7.65 -46.05 2 3 1 34 296.847 4 ↓
Hi High (pH 8-9.5) 3.59 6.48 -4.65 1 3 0 30 295.839 4 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-phenyl]-N-ethyl-ethanamine (1S)-1-[3-chloro-4-(2,5-dimethyl…

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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) 3.96 8.5 -44.51 2 3 1 34 310.874 5 ↓
Hi High (pH 8-9.5) 3.96 7.42 -5.02 1 3 0 30 309.866 5 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-phenyl]-N-ethyl-ethanamine (1R)-1-[3-chloro-4-(2,5-dimethyl…

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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) 3.96 8.5 -45.17 2 3 1 34 310.874 5 ↓
Hi High (pH 8-9.5) 3.96 7.4 -4.45 1 3 0 30 309.866 5 ↓

Analogs

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Popular Name: N-[(1S)-1-[3-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-phenyl]ethyl]propan-1-amine N-[(1S)-1-[3-chloro-4-(2,5-dimet…

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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) 4.47 9.27 -45.39 2 3 1 34 324.901 6 ↓
Hi High (pH 8-9.5) 4.47 8.17 -4.95 1 3 0 30 323.893 6 ↓

Analogs

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Popular Name: N-[(1R)-1-[3-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-phenyl]ethyl]propan-1-amine N-[(1R)-1-[3-chloro-4-(2,5-dimet…

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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) 4.47 9.26 -46.12 2 3 1 34 324.901 6 ↓
Hi High (pH 8-9.5) 4.47 8.15 -4.39 1 3 0 30 323.893 6 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-phenyl]ethanamine (1R)-1-[3-chloro-4-(2,5-dimethyl…

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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) 1.33 5.87 -51.14 3 3 1 45 282.82 3 ↓
Hi High (pH 8-9.5) 1.33 5.57 -5.05 2 3 0 44 281.812 3 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-phenyl]ethanamine (1S)-1-[3-chloro-4-(2,5-dimethyl…

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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) 1.33 5.87 -51.8 3 3 1 45 282.82 3 ↓
Hi High (pH 8-9.5) 1.33 5.53 -5.42 2 3 0 44 281.812 3 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-phenyl]-N-methyl-ethanamine (1R)-1-[3-bromo-4-(2,5-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) 3.72 7.73 -45.42 2 3 1 34 341.298 4 ↓
Hi High (pH 8-9.5) 3.72 6.56 -5.2 1 3 0 30 340.29 4 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-phenyl]-N-methyl-ethanamine (1S)-1-[3-bromo-4-(2,5-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) 3.72 7.74 -45.91 2 3 1 34 341.298 4 ↓
Hi High (pH 8-9.5) 3.72 6.56 -4.57 1 3 0 30 340.29 4 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-phenyl]-N-ethyl-ethanamine (1S)-1-[3-bromo-4-(2,5-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) 4.09 8.61 -44.54 2 3 1 34 355.325 5 ↓
Hi High (pH 8-9.5) 4.09 7.51 -4.98 1 3 0 30 354.317 5 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-phenyl]-N-ethyl-ethanamine (1R)-1-[3-bromo-4-(2,5-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) 4.09 8.6 -45.18 2 3 1 34 355.325 5 ↓
Hi High (pH 8-9.5) 4.09 7.49 -4.39 1 3 0 30 354.317 5 ↓

Analogs

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Popular Name: N-[(1S)-1-[3-bromo-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-phenyl]ethyl]propan-1-amine N-[(1S)-1-[3-bromo-4-(2,5-dimeth…

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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) 4.60 9.37 -45.41 2 3 1 34 369.352 6 ↓
Hi High (pH 8-9.5) 4.60 8.27 -4.86 1 3 0 30 368.344 6 ↓

Analogs

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Popular Name: N-[(1R)-1-[3-bromo-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-phenyl]ethyl]propan-1-amine N-[(1R)-1-[3-bromo-4-(2,5-dimeth…

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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) 4.60 9.36 -46.08 2 3 1 34 369.352 6 ↓
Hi High (pH 8-9.5) 4.60 8.25 -4.3 1 3 0 30 368.344 6 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-phenyl]ethanamine (1R)-1-[3-bromo-4-(2,5-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) 1.47 5.96 -51.05 3 3 1 45 327.271 3 ↓
Hi High (pH 8-9.5) 1.47 5.66 -5.01 2 3 0 44 326.263 3 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-phenyl]ethanamine (1S)-1-[3-bromo-4-(2,5-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) 1.47 5.96 -51.6 3 3 1 45 327.271 3 ↓
Hi High (pH 8-9.5) 1.47 5.63 -5.33 2 3 0 44 326.263 3 ↓

Analogs

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Popular Name: 5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methyl-aniline 5-(2,5-dimethylpyrazol-3-yl)sulf…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.72 5.34 -6.23 2 3 0 44 233.34 2 ↓

Analogs

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Popular Name: 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-nitro-aniline 2-(2,5-dimethylpyrazol-3-yl)sulf…

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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 4.79 -9.74 2 6 0 90 264.31 3 ↓

Analogs

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Popular Name: [5-chloro-2-(2,5-dimethylpyrazol-3-yl)sulfanyl-phenyl]methanamine [5-chloro-2-(2,5-dimethylpyrazol…

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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) 2.65 5.12 -50.66 3 3 1 45 268.793 3 ↓
Hi High (pH 8-9.5) 2.65 4.73 -5.18 2 3 0 44 267.785 3 ↓

Analogs

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Popular Name: 5-chloro-2-(2,5-dimethylpyrazol-3-yl)sulfanyl-benzonitrile 5-chloro-2-(2,5-dimethylpyrazol-…

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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) 3.22 7.44 -6.48 0 3 0 42 263.753 2 ↓

Analogs

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Popular Name: 5-chloro-2-(2,5-dimethylpyrazol-3-yl)sulfanyl-benzamidine 5-chloro-2-(2,5-dimethylpyrazol-…

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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 4.61 -37.74 4 4 1 69 281.792 3 ↓

Analogs

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Popular Name: 5-chloro-2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-benzamidine 5-chloro-2-(2,5-dimethylpyrazol-…

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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) 1.78 4.25 -7.77 3 5 0 76 296.783 3 ↓

Analogs

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Popular Name: 2-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanyl-benzamidine 2-chloro-6-(2,5-dimethylpyrazol-…

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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) 1.83 4.28 -33.6 4 4 1 69 281.792 3 ↓

Analogs

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Popular Name: 2-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-benzamidine 2-chloro-6-(2,5-dimethylpyrazol-…

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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) 1.76 3.2 -8.97 3 5 0 76 296.783 3 ↓

Analogs

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Popular Name: 2-chloro-6-(2,5-dimethylpyrazol-3-yl)sulfanyl-benzonitrile 2-chloro-6-(2,5-dimethylpyrazol-…

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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) 3.20 7.34 -8.29 0 3 0 42 263.753 2 ↓

Analogs

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Popular Name: 4-({[(2-chloroacetyl)oxy]imino}methyl)-5-[(4-chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole 4-({[(2-chloroacetyl)oxy]imino}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) 4.66 4.87 -14.91 0 5 0 56 412.22 7 ↓

Analogs

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Popular Name: 1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde oxime 1-methyl-5-(phenylsulfanyl)-3-(t…

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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 4.72 -6.81 1 4 0 50 301.293 4 ↓
Ref Reference (pH 7) 4.12 5.23 -7.83 1 4 0 50 301.293 4 ↓

Analogs

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Popular Name: 4-({[(2-chloroacetyl)oxy]imino}methyl)-1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazole 4-({[(2-chloroacetyl)oxy]imino}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) 3.98 5.13 -14.71 0 5 0 56 377.775 7 ↓

Analogs

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Popular Name: 5-[(4-chlorophenyl)sulfanyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide 5-[(4-chlorophenyl)sulfanyl]-1,3…

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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) 2.29 -2.23 -9.23 2 4 0 60 281.768 3 ↓

Analogs

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Popular Name: [5-(4-tert-butylphenyl)sulfanyl-1,3-dimethyl-pyrazol-4-yl]methanamine [5-(4-tert-butylphenyl)sulfanyl-…

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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 6.99 -42.83 3 3 1 45 290.456 4 ↓
Hi High (pH 8-9.5) 3.68 6.59 -5.16 2 3 0 44 289.448 4 ↓

Analogs

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Popular Name: [4-chloro-2-(2,5-dimethylpyrazol-3-yl)sulfanyl-phenyl]methanamine [4-chloro-2-(2,5-dimethylpyrazol…

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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) 2.65 5.12 -53.35 3 3 1 45 268.793 3 ↓
Hi High (pH 8-9.5) 2.65 4.73 -6.1 2 3 0 44 267.785 3 ↓

Analogs

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Popular Name: 4-chloro-2-(2,5-dimethylpyrazol-3-yl)sulfanyl-benzoic 4-chloro-2-(2,5-dimethylpyrazol-…

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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 7.6 -42.04 0 4 -1 58 281.744 3 ↓

Analogs

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Popular Name: 4-chloro-2-(2,5-dimethylpyrazol-3-yl)sulfanyl-benzamidine 4-chloro-2-(2,5-dimethylpyrazol-…

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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 4.66 -40.46 4 4 1 69 281.792 3 ↓

Analogs

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Popular Name: 4-chloro-2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-benzamidine 4-chloro-2-(2,5-dimethylpyrazol-…

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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) 1.78 4.25 -9.62 3 5 0 76 296.783 3 ↓

Analogs

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Popular Name: 4-chloro-2-(2,5-dimethylpyrazol-3-yl)sulfanyl-benzonitrile 4-chloro-2-(2,5-dimethylpyrazol-…

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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) 3.22 7.45 -7.63 0 3 0 42 263.753 2 ↓

Analogs

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Popular Name: [3-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-phenyl]methanamine [3-chloro-4-(2,5-dimethylpyrazol…

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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) 2.65 5.15 -53.93 3 3 1 45 268.793 3 ↓
Hi High (pH 8-9.5) 2.65 4.75 -5.37 2 3 0 44 267.785 3 ↓

Analogs

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Popular Name: 3-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-benzonitrile 3-chloro-4-(2,5-dimethylpyrazol-…

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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) 3.22 7.5 -6.73 0 3 0 42 263.753 2 ↓

Analogs

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Popular Name: 3-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-benzamidine 3-chloro-4-(2,5-dimethylpyrazol-…

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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 4.99 -39.69 4 4 1 69 281.792 3 ↓

Analogs

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Popular Name: 3-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-benzamidine 3-chloro-4-(2,5-dimethylpyrazol-…

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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) 1.78 4 -7.83 3 5 0 76 296.783 3 ↓

Analogs

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Popular Name: 3-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-benzoic 3-chloro-4-(2,5-dimethylpyrazol-…

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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) 3.38 7.65 -44.1 0 4 -1 58 281.744 3 ↓

Analogs

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Popular Name: 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,5-difluoro-benzoic 4-(2,5-dimethylpyrazol-3-yl)sulf…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.96 7.49 -40.14 0 4 -1 58 283.279 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-(2,5-dimethylpyrazol-3-yl)sulfanyl-benzoic 4-amino-2-(2,5-dimethylpyrazol-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) 1.44 4.95 -49.44 2 5 -1 84 262.314 3 ↓

Parameters Provided:

ring.id = 5007
filter.purchasability = annotated
page.format = targets
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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 = 5007 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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