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Analogs

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Popular Name: (R)-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-phenyl-methanamine (R)-[5-(3,4-dimethylphenyl)-1H-i…

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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) 3.49 7.58 -46.34 4 3 1 56 278.379 3 ↓
Mid Mid (pH 6-8) 3.49 7.89 -32.78 4 3 1 56 278.379 3 ↓
Mid Mid (pH 6-8) 3.49 7.3 -8.91 3 3 0 55 277.371 3 ↓

Analogs

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Popular Name: (S)-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-phenyl-methanamine (S)-[5-(3,4-dimethylphenyl)-1H-i…

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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) 3.49 7.84 -52.66 4 3 1 56 278.379 3 ↓
Mid Mid (pH 6-8) 3.49 7.89 -30.89 4 3 1 56 278.379 3 ↓
Mid Mid (pH 6-8) 3.49 7.54 -8.78 3 3 0 55 277.371 3 ↓

Analogs

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Popular Name: (S)-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (S)-[5-(3,4-dichlorophenyl)-1H-i…

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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) 3.95 7.59 -58.19 4 3 1 56 319.215 3 ↓
Mid Mid (pH 6-8) 3.95 7.65 -36.53 4 3 1 56 319.215 3 ↓
Mid Mid (pH 6-8) 3.95 7.28 -10.45 3 3 0 55 318.207 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (R)-[5-(3,4-dichlorophenyl)-1H-i…

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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) 3.95 7.32 -51.02 4 3 1 56 319.215 3 ↓
Mid Mid (pH 6-8) 3.95 7.63 -38.61 4 3 1 56 319.215 3 ↓
Mid Mid (pH 6-8) 3.95 7.04 -9.49 3 3 0 55 318.207 3 ↓

Analogs

36323855
36323855

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Popular Name: (R)-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-phenyl-methanamine (R)-[5-(4-ethylphenyl)-1H-imidaz…

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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 7.79 -46.24 4 3 1 56 278.379 4 ↓
Mid Mid (pH 6-8) 3.58 8.11 -31.41 4 3 1 56 278.379 4 ↓
Mid Mid (pH 6-8) 3.58 7.53 -8.44 3 3 0 55 277.371 4 ↓

Analogs

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Popular Name: (S)-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-phenyl-methanamine (S)-[5-(4-ethylphenyl)-1H-imidaz…

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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 8.06 -52.65 4 3 1 56 278.379 4 ↓
Mid Mid (pH 6-8) 3.58 8.11 -32.69 4 3 1 56 278.379 4 ↓
Mid Mid (pH 6-8) 3.58 7.76 -8.27 3 3 0 55 277.371 4 ↓

Analogs

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Popular Name: (S)-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (S)-[5-(4-chlorophenyl)-1H-imida…

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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 7.14 -54.94 4 3 1 56 284.77 3 ↓
Mid Mid (pH 6-8) 3.35 7.2 -34.52 4 3 1 56 284.77 3 ↓
Mid Mid (pH 6-8) 3.35 6.82 -7.9 3 3 0 55 283.762 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (R)-[5-(4-chlorophenyl)-1H-imida…

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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 6.88 -48.43 4 3 1 56 284.77 3 ↓
Mid Mid (pH 6-8) 3.35 7.18 -36.54 4 3 1 56 284.77 3 ↓
Mid Mid (pH 6-8) 3.35 6.59 -8.19 3 3 0 55 283.762 3 ↓

Analogs

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Popular Name: (S)-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (S)-[5-(2,6-difluorophenyl)-1H-i…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.90 6.69 -50.17 4 3 1 56 286.305 3 ↓
Mid Mid (pH 6-8) 2.90 6.75 -27.76 4 3 1 56 286.305 3 ↓
Mid Mid (pH 6-8) 2.90 6.52 -10.99 3 3 0 55 285.297 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (R)-[5-(2,6-difluorophenyl)-1H-i…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.90 6.42 -45.05 4 3 1 56 286.305 3 ↓
Mid Mid (pH 6-8) 2.90 6.73 -29.65 4 3 1 56 286.305 3 ↓
Mid Mid (pH 6-8) 2.90 6.28 -10.24 3 3 0 55 285.297 3 ↓

Analogs

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Popular Name: (S)-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (S)-[5-(2-fluorophenyl)-1H-imida…

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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) 2.78 6.6 -55.06 4 3 1 56 268.315 3 ↓
Mid Mid (pH 6-8) 2.78 6.66 -31.25 4 3 1 56 268.315 3 ↓
Mid Mid (pH 6-8) 2.78 6.53 -11.91 3 3 0 55 267.307 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (R)-[5-(2-fluorophenyl)-1H-imida…

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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) 2.78 6.34 -47.24 4 3 1 56 268.315 3 ↓
Mid Mid (pH 6-8) 2.78 6.64 -29.57 4 3 1 56 268.315 3 ↓
Mid Mid (pH 6-8) 2.78 6.3 -11.87 3 3 0 55 267.307 3 ↓

Analogs

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Popular Name: (R)-[5-(o-tolyl)-1H-imidazol-2-yl]-phenyl-methanamine (R)-[5-(o-tolyl)-1H-imidazol-2-y…

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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) 3.07 6.7 -45.94 4 3 1 56 264.352 3 ↓
Mid Mid (pH 6-8) 3.07 7.01 -30.49 4 3 1 56 264.352 3 ↓
Mid Mid (pH 6-8) 3.07 7.24 -7.86 3 3 0 55 263.344 3 ↓

Analogs

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Popular Name: (S)-[5-(o-tolyl)-1H-imidazol-2-yl]-phenyl-methanamine (S)-[5-(o-tolyl)-1H-imidazol-2-y…

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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) 3.07 6.97 -51.78 4 3 1 56 264.352 3 ↓
Mid Mid (pH 6-8) 3.07 7.02 -31.94 4 3 1 56 264.352 3 ↓
Mid Mid (pH 6-8) 3.07 7.49 -8.7 3 3 0 55 263.344 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (S)-[5-(3,4-difluorophenyl)-1H-i…

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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) 2.92 6.74 -60.64 4 3 1 56 286.305 3 ↓
Mid Mid (pH 6-8) 2.92 6.44 -12.36 3 3 0 55 285.297 3 ↓
Mid Mid (pH 6-8) 2.92 6.8 -40.58 4 3 1 56 286.305 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (R)-[5-(3,4-difluorophenyl)-1H-i…

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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) 2.92 6.48 -53.14 4 3 1 56 286.305 3 ↓
Mid Mid (pH 6-8) 2.92 6.19 -11.28 3 3 0 55 285.297 3 ↓
Mid Mid (pH 6-8) 2.92 6.79 -39.02 4 3 1 56 286.305 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (S)-[5-(2,4-difluorophenyl)-1H-i…

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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) 2.92 6.67 -57.27 4 3 1 56 286.305 3 ↓
Mid Mid (pH 6-8) 2.92 6.73 -34.56 4 3 1 56 286.305 3 ↓
Mid Mid (pH 6-8) 2.92 6.6 -11.26 3 3 0 55 285.297 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (R)-[5-(2,4-difluorophenyl)-1H-i…

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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) 2.92 6.4 -49.19 4 3 1 56 286.305 3 ↓
Mid Mid (pH 6-8) 2.92 6.71 -32.65 4 3 1 56 286.305 3 ↓
Mid Mid (pH 6-8) 2.92 6.37 -11.43 3 3 0 55 285.297 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (S)-[5-(2,4-dichlorophenyl)-1H-i…

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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) 3.95 7.39 -55.8 4 3 1 56 319.215 3 ↓
Mid Mid (pH 6-8) 3.95 7.45 -31.56 4 3 1 56 319.215 3 ↓
Mid Mid (pH 6-8) 3.95 7.71 -9.86 3 3 0 55 318.207 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (R)-[5-(2,4-dichlorophenyl)-1H-i…

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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) 3.95 7.13 -48.12 4 3 1 56 319.215 3 ↓
Mid Mid (pH 6-8) 3.95 7.44 -33.69 4 3 1 56 319.215 3 ↓
Mid Mid (pH 6-8) 3.95 7.47 -8.86 3 3 0 55 318.207 3 ↓

Analogs

14946220
14946220

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Popular Name: (R)-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-phenyl-methanamine (R)-[5-(4-methoxyphenyl)-1H-imid…

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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 5.66 -48.22 4 4 1 66 280.351 4 ↓
Mid Mid (pH 6-8) 2.72 5.96 -34.03 4 4 1 65 280.351 4 ↓
Mid Mid (pH 6-8) 2.72 5.37 -9.39 3 4 0 64 279.343 4 ↓

Analogs

14946220
14946220

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Popular Name: (S)-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-phenyl-methanamine (S)-[5-(4-methoxyphenyl)-1H-imid…

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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 5.92 -54.42 4 4 1 66 280.351 4 ↓
Mid Mid (pH 6-8) 2.72 5.97 -35.31 4 4 1 65 280.351 4 ↓
Mid Mid (pH 6-8) 2.72 5.61 -10.24 3 4 0 64 279.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-phenyl-methanamine (R)-[5-(2,4-dimethylphenyl)-1H-i…

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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) 3.49 7.37 -45.87 4 3 1 56 278.379 3 ↓
Mid Mid (pH 6-8) 3.49 7.68 -32.12 4 3 1 56 278.379 3 ↓
Mid Mid (pH 6-8) 3.49 7.9 -7.91 3 3 0 55 277.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-phenyl-methanamine (S)-[5-(2,4-dimethylphenyl)-1H-i…

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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) 3.49 7.63 -51.78 4 3 1 56 278.379 3 ↓
Mid Mid (pH 6-8) 3.49 7.69 -30.12 4 3 1 56 278.379 3 ↓
Mid Mid (pH 6-8) 3.49 8.16 -8.68 3 3 0 55 277.371 3 ↓

Analogs

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Popular Name: (S)-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (S)-[5-(2-chlorophenyl)-1H-imida…

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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) 3.30 6.88 -54.03 4 3 1 56 284.77 3 ↓
Mid Mid (pH 6-8) 3.30 6.94 -30.8 4 3 1 56 284.77 3 ↓
Mid Mid (pH 6-8) 3.30 7.19 -9.38 3 3 0 55 283.762 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (R)-[5-(2-chlorophenyl)-1H-imida…

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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) 3.30 6.62 -46.51 4 3 1 56 284.77 3 ↓
Mid Mid (pH 6-8) 3.30 6.93 -29.08 4 3 1 56 284.77 3 ↓
Mid Mid (pH 6-8) 3.30 6.96 -9.51 3 3 0 55 283.762 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-phenyl-methanamine (R)-[5-(2-methoxyphenyl)-1H-imid…

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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 5.74 -46.22 4 4 1 66 280.351 4 ↓
Mid Mid (pH 6-8) 2.68 6.05 -28.49 4 4 1 65 280.351 4 ↓
Mid Mid (pH 6-8) 2.68 5.76 -10.28 3 4 0 64 279.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-phenyl-methanamine (S)-[5-(2-methoxyphenyl)-1H-imid…

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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 6 -53.15 4 4 1 66 280.351 4 ↓
Mid Mid (pH 6-8) 2.68 6.05 -30 4 4 1 65 280.351 4 ↓
Mid Mid (pH 6-8) 2.68 5.99 -10.44 3 4 0 64 279.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (S)-[5-(4-fluorophenyl)-1H-imida…

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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) 2.83 6.69 -55.78 4 3 1 56 268.315 3 ↓
Mid Mid (pH 6-8) 2.83 6.75 -37.11 4 3 1 56 268.315 3 ↓
Mid Mid (pH 6-8) 2.83 6.37 -8.34 3 3 0 55 267.307 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (R)-[5-(4-fluorophenyl)-1H-imida…

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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) 2.83 6.43 -49.25 4 3 1 56 268.315 3 ↓
Mid Mid (pH 6-8) 2.83 6.73 -35.67 4 3 1 56 268.315 3 ↓
Mid Mid (pH 6-8) 2.83 6.14 -8.69 3 3 0 55 267.307 3 ↓

Analogs

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Popular Name: (S)-[5-(2-bromophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (S)-[5-(2-bromophenyl)-1H-imidaz…

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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) 3.43 6.94 -53.93 4 3 1 56 329.221 3 ↓
Mid Mid (pH 6-8) 3.43 7 -30.71 4 3 1 56 329.221 3 ↓
Mid Mid (pH 6-8) 3.43 7.38 -8.94 3 3 0 55 328.213 3 ↓

Analogs

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Popular Name: (R)-[5-(2-bromophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (R)-[5-(2-bromophenyl)-1H-imidaz…

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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) 3.43 6.68 -46.52 4 3 1 56 329.221 3 ↓
Mid Mid (pH 6-8) 3.43 6.99 -29.03 4 3 1 56 329.221 3 ↓
Mid Mid (pH 6-8) 3.43 7.16 -9.13 3 3 0 55 328.213 3 ↓

Analogs

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Popular Name: (R)-[5-(2,5-dimethylphenyl)-1H-imidazol-2-yl]-phenyl-methanamine (R)-[5-(2,5-dimethylphenyl)-1H-i…

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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) 3.49 7.78 -46.72 4 3 1 56 278.379 3 ↓
Mid Mid (pH 6-8) 3.49 8.08 -30.64 4 3 1 56 278.379 3 ↓
Mid Mid (pH 6-8) 3.49 7.9 -7.76 3 3 0 55 277.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[5-(2,5-dimethylphenyl)-1H-imidazol-2-yl]-phenyl-methanamine (S)-[5-(2,5-dimethylphenyl)-1H-i…

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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) 3.49 8.04 -52.35 4 3 1 56 278.379 3 ↓
Mid Mid (pH 6-8) 3.49 8.09 -31.89 4 3 1 56 278.379 3 ↓
Mid Mid (pH 6-8) 3.49 8.14 -7.6 3 3 0 55 277.371 3 ↓

Analogs

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Popular Name: 4-[2-[(S)-amino(phenyl)methyl]-1H-imidazol-5-yl]benzonitrile 4-[2-[(S)-amino(phenyl)methyl]-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) 2.42 7.01 -60.27 4 4 1 80 275.335 3 ↓
Mid Mid (pH 6-8) 2.42 7.06 -42.84 4 4 1 80 275.335 3 ↓
Mid Mid (pH 6-8) 2.42 6.7 -11.47 3 4 0 78 274.327 3 ↓

Analogs

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Popular Name: 4-[2-[(R)-amino(phenyl)methyl]-1H-imidazol-5-yl]benzonitrile 4-[2-[(R)-amino(phenyl)methyl]-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) 2.42 6.74 -53.49 4 4 1 80 275.335 3 ↓
Mid Mid (pH 6-8) 2.42 7.05 -41.34 4 4 1 80 275.335 3 ↓
Mid Mid (pH 6-8) 2.42 6.46 -10.47 3 4 0 78 274.327 3 ↓

Analogs

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Popular Name: (S)-[5-(2,5-dichlorophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (S)-[5-(2,5-dichlorophenyl)-1H-i…

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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) 3.95 7.4 -52.95 4 3 1 56 319.215 3 ↓
Mid Mid (pH 6-8) 3.95 7.46 -31.74 4 3 1 56 319.215 3 ↓
Mid Mid (pH 6-8) 3.95 7.71 -7.51 3 3 0 55 318.207 3 ↓

Analogs

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Popular Name: (R)-[5-(2,5-dichlorophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (R)-[5-(2,5-dichlorophenyl)-1H-i…

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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) 3.95 7.14 -46.53 4 3 1 56 319.215 3 ↓
Mid Mid (pH 6-8) 3.95 7.45 -30.23 4 3 1 56 319.215 3 ↓
Mid Mid (pH 6-8) 3.95 7.48 -7.78 3 3 0 55 318.207 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (S)-[5-(2,5-difluorophenyl)-1H-i…

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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) 2.92 6.67 -53.98 4 3 1 56 286.305 3 ↓
Mid Mid (pH 6-8) 2.92 6.6 -9.66 3 3 0 55 285.297 3 ↓
Mid Mid (pH 6-8) 2.92 6.73 -30.82 4 3 1 56 286.305 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (R)-[5-(2,5-difluorophenyl)-1H-i…

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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) 2.92 6.4 -47.28 4 3 1 56 286.305 3 ↓
Mid Mid (pH 6-8) 2.92 6.37 -9.82 3 3 0 55 285.297 3 ↓
Mid Mid (pH 6-8) 2.92 6.71 -32.89 4 3 1 56 286.305 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (S)-[5-(3-chlorophenyl)-1H-imida…

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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) 3.32 7.13 -55.89 4 3 1 56 284.77 3 ↓
Mid Mid (pH 6-8) 3.32 7.19 -32.98 4 3 1 56 284.77 3 ↓
Mid Mid (pH 6-8) 3.32 6.82 -9.38 3 3 0 55 283.762 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (R)-[5-(3-chlorophenyl)-1H-imida…

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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) 3.32 6.87 -48.74 4 3 1 56 284.77 3 ↓
Mid Mid (pH 6-8) 3.32 7.17 -34.99 4 3 1 56 284.77 3 ↓
Mid Mid (pH 6-8) 3.32 6.59 -9.68 3 3 0 55 283.762 3 ↓

Analogs

32628203
32628203
32628206
32628206

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Popular Name: (R)-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-phenyl-methanamine (R)-[5-(3-methoxyphenyl)-1H-imid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.70 5.66 -48.76 4 4 1 66 280.351 4 ↓
Mid Mid (pH 6-8) 2.70 5.96 -32.38 4 4 1 65 280.351 4 ↓
Mid Mid (pH 6-8) 2.70 5.37 -11.61 3 4 0 64 279.343 4 ↓

Analogs

32628203
32628203
32628206
32628206

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-phenyl-methanamine (S)-[5-(3-methoxyphenyl)-1H-imid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.70 5.92 -55.63 4 4 1 66 280.351 4 ↓
Mid Mid (pH 6-8) 2.70 5.98 -33.75 4 4 1 65 280.351 4 ↓
Mid Mid (pH 6-8) 2.70 5.62 -11.43 3 4 0 64 279.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[5-(3-bromophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (S)-[5-(3-bromophenyl)-1H-imidaz…

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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) 3.45 7.24 -55.98 4 3 1 56 329.221 3 ↓
Mid Mid (pH 6-8) 3.45 7.3 -32.99 4 3 1 56 329.221 3 ↓
Mid Mid (pH 6-8) 3.45 6.93 -9.31 3 3 0 55 328.213 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[5-(3-bromophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (R)-[5-(3-bromophenyl)-1H-imidaz…

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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) 3.45 6.97 -48.79 4 3 1 56 329.221 3 ↓
Mid Mid (pH 6-8) 3.45 7.28 -34.97 4 3 1 56 329.221 3 ↓
Mid Mid (pH 6-8) 3.45 6.7 -9.53 3 3 0 55 328.213 3 ↓

Analogs

36323855
36323855

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Popular Name: (R)-phenyl-[5-(p-tolyl)-1H-imidazol-2-yl]methanamine (R)-phenyl-[5-(p-tolyl)-1H-imida…

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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) 3.12 7.04 -46.36 4 3 1 56 264.352 3 ↓
Mid Mid (pH 6-8) 3.12 7.34 -32.89 4 3 1 56 264.352 3 ↓
Mid Mid (pH 6-8) 3.12 6.76 -8.72 3 3 0 55 263.344 3 ↓

Analogs

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Popular Name: (S)-phenyl-[5-(p-tolyl)-1H-imidazol-2-yl]methanamine (S)-phenyl-[5-(p-tolyl)-1H-imida…

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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) 3.12 7.3 -52.75 4 3 1 56 264.352 3 ↓
Mid Mid (pH 6-8) 3.12 7.36 -30.93 4 3 1 56 264.352 3 ↓
Mid Mid (pH 6-8) 3.12 7 -9.56 3 3 0 55 263.344 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-[5-(4-bromophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (S)-[5-(4-bromophenyl)-1H-imidaz…

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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 7.25 -55.03 4 3 1 56 329.221 3 ↓
Mid Mid (pH 6-8) 3.48 7.31 -34.72 4 3 1 56 329.221 3 ↓
Mid Mid (pH 6-8) 3.48 6.93 -7.85 3 3 0 55 328.213 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-[5-(4-bromophenyl)-1H-imidazol-2-yl]-phenyl-methanamine (R)-[5-(4-bromophenyl)-1H-imidaz…

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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 6.98 -48.55 4 3 1 56 329.221 3 ↓
Mid Mid (pH 6-8) 3.48 7.29 -36.72 4 3 1 56 329.221 3 ↓
Mid Mid (pH 6-8) 3.48 6.7 -8.1 3 3 0 55 328.213 3 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 121960 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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