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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-5-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]aniline 2-methyl-5-[(2R)-2-(3-pyridyl)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) 2.65 6.89 -6.78 2 3 0 42 253.349 2 ↓
Lo Low (pH 4.5-6) 2.65 7.34 -34.07 3 3 1 43 254.357 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-5-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]aniline 2-methyl-5-[(2S)-2-(3-pyridyl)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) 2.65 6.9 -6.79 2 3 0 42 253.349 2 ↓
Lo Low (pH 4.5-6) 2.65 7.35 -34.11 3 3 1 43 254.357 2 ↓

Analogs

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Popular Name: 5-nitro-2-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]aniline 5-nitro-2-[(2S)-2-(3-pyridyl)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) 2.16 7.48 -8.1 2 6 0 88 284.319 3 ↓
Lo Low (pH 4.5-6) 2.16 7.95 -39.86 3 6 1 89 285.327 3 ↓

Analogs

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Popular Name: 5-nitro-2-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]aniline 5-nitro-2-[(2R)-2-(3-pyridyl)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) 2.16 7.49 -8.05 2 6 0 88 284.319 3 ↓
Lo Low (pH 4.5-6) 2.16 7.95 -39.94 3 6 1 89 285.327 3 ↓

Analogs

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Popular Name: [5-chloro-2-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]phenyl]methanamine [5-chloro-2-[(2S)-2-(3-pyridyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.58 7.23 -53.05 3 3 1 44 288.802 3 ↓
Lo Low (pH 4.5-6) 2.58 7.69 -94.66 4 3 2 45 289.81 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-chloro-2-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]phenyl]methanamine [5-chloro-2-[(2R)-2-(3-pyridyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.58 7.3 -51.78 3 3 1 44 288.802 3 ↓
Lo Low (pH 4.5-6) 2.58 7.76 -91.62 4 3 2 45 289.81 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-chloro-6-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]phenyl]methanamine [2-chloro-6-[(2R)-2-(3-pyridyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.55 7.22 -44.7 3 3 1 44 288.802 3 ↓
Lo Low (pH 4.5-6) 2.55 7.72 -87.43 4 3 2 45 289.81 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-chloro-6-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]phenyl]methanamine [2-chloro-6-[(2S)-2-(3-pyridyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.55 7.35 -45.82 3 3 1 44 288.802 3 ↓
Lo Low (pH 4.5-6) 2.55 7.88 -94.35 4 3 2 45 289.81 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]aniline 3-[(2R)-2-(3-pyridyl)pyrrolidin-…

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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 6.11 -6.74 2 3 0 42 239.322 2 ↓
Lo Low (pH 4.5-6) 1.84 6.56 -34.26 3 3 1 43 240.33 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]aniline 3-[(2S)-2-(3-pyridyl)pyrrolidin-…

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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 6.12 -6.74 2 3 0 42 239.322 2 ↓
Lo Low (pH 4.5-6) 1.84 6.57 -34.34 3 3 1 43 240.33 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-2-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]aniline 3-chloro-2-[(2R)-2-(3-pyridyl)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) 2.85 7.07 -5.99 2 3 0 42 273.767 2 ↓
Lo Low (pH 4.5-6) 2.85 7.69 -29.94 3 3 1 43 274.775 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-2-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]aniline 3-chloro-2-[(2S)-2-(3-pyridyl)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) 2.85 7.09 -6.11 2 3 0 42 273.767 2 ↓
Lo Low (pH 4.5-6) 2.85 7.41 -36.84 3 3 1 43 274.775 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-4-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]aniline 2-methyl-4-[(2R)-2-(3-pyridyl)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) 2.65 6.88 -6.51 2 3 0 42 253.349 2 ↓
Lo Low (pH 4.5-6) 2.65 7.32 -33.95 3 3 1 43 254.357 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-4-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]aniline 2-methyl-4-[(2S)-2-(3-pyridyl)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) 2.65 6.89 -6.48 2 3 0 42 253.349 2 ↓
Lo Low (pH 4.5-6) 2.65 7.33 -33.85 3 3 1 43 254.357 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]benzamide 3-amino-4-[(2S)-2-(3-pyridyl)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) 1.02 3.56 -9.84 4 5 0 85 282.347 3 ↓
Lo Low (pH 4.5-6) 1.02 4.03 -42.13 5 5 1 86 283.355 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]benzamide 3-amino-4-[(2R)-2-(3-pyridyl)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) 1.02 3.56 -9.85 4 5 0 85 282.347 3 ↓
Lo Low (pH 4.5-6) 1.02 4.03 -41.94 5 5 1 86 283.355 3 ↓

Analogs

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Popular Name: 5-bromo-2-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]aniline 5-bromo-2-[(2S)-2-(3-pyridyl)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) 3.01 7.39 -5.03 2 3 0 42 318.218 2 ↓
Lo Low (pH 4.5-6) 3.01 7.86 -32.8 3 3 1 43 319.226 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]aniline 5-bromo-2-[(2R)-2-(3-pyridyl)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) 3.01 7.4 -4.96 2 3 0 42 318.218 2 ↓
Lo Low (pH 4.5-6) 3.01 7.86 -32.81 3 3 1 43 319.226 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-2-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]aniline 5-methyl-2-[(2R)-2-(3-pyridyl)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) 2.65 7.44 -5.34 2 3 0 42 253.349 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-2-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]aniline 5-methyl-2-[(2S)-2-(3-pyridyl)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) 2.65 7.43 -5.43 2 3 0 42 253.349 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]aniline 2-[(2R)-2-(3-pyridyl)pyrrolidin-…

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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) 2.22 6.77 -5.29 2 3 0 42 239.322 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]aniline 2-[(2S)-2-(3-pyridyl)pyrrolidin-…

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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) 2.22 6.77 -5.36 2 3 0 42 239.322 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]aniline 3-chloro-4-[(2S)-2-(3-pyridyl)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) 2.47 7.09 -4.82 2 3 0 42 273.767 2 ↓
Lo Low (pH 4.5-6) 2.47 7.55 -33.72 3 3 1 43 274.775 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-4-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]aniline 3-chloro-4-[(2R)-2-(3-pyridyl)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) 2.47 7.1 -4.82 2 3 0 42 273.767 2 ↓
Lo Low (pH 4.5-6) 2.47 7.56 -33.55 3 3 1 43 274.775 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]aniline 4-[(2S)-2-(3-pyridyl)pyrrolidin-…

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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 6.12 -6.32 2 3 0 42 239.322 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]aniline 4-[(2R)-2-(3-pyridyl)pyrrolidin-…

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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 6.12 -6.33 2 3 0 42 239.322 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]aniline 5-chloro-2-[(2S)-2-(3-pyridyl)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) 2.88 7.28 -5.04 2 3 0 42 273.767 2 ↓
Lo Low (pH 4.5-6) 2.88 7.75 -32.79 3 3 1 43 274.775 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]aniline 5-chloro-2-[(2R)-2-(3-pyridyl)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) 2.88 7.3 -5.01 2 3 0 42 273.767 2 ↓
Lo Low (pH 4.5-6) 2.88 7.76 -32.76 3 3 1 43 274.775 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-2-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]aniline 5-fluoro-2-[(2S)-2-(3-pyridyl)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) 2.36 6.83 -5.6 2 3 0 42 257.312 2 ↓
Lo Low (pH 4.5-6) 2.36 7.3 -33.65 3 3 1 43 258.32 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-2-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]aniline 5-fluoro-2-[(2R)-2-(3-pyridyl)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) 2.36 6.85 -5.55 2 3 0 42 257.312 2 ↓
Lo Low (pH 4.5-6) 2.36 7.3 -33.6 3 3 1 43 258.32 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]benzonitrile 3-amino-4-[(2S)-2-(3-pyridyl)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) 1.95 7.17 -7.11 2 4 0 66 264.332 2 ↓
Lo Low (pH 4.5-6) 1.95 7.64 -37.49 3 4 1 67 265.34 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]benzonitrile 3-amino-4-[(2R)-2-(3-pyridyl)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) 1.95 7.16 -7.11 2 4 0 66 264.332 2 ↓
Lo Low (pH 4.5-6) 1.95 7.63 -37.51 3 4 1 67 265.34 2 ↓

Analogs

37781030
37781030
37781031
37781031

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]aniline 3-fluoro-4-[(2S)-2-(3-pyridyl)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) 1.96 6.41 -5.72 2 3 0 42 257.312 2 ↓
Lo Low (pH 4.5-6) 1.96 6.88 -35.13 3 3 1 43 258.32 2 ↓

Analogs

37781030
37781030
37781031
37781031

Draw Identity 99% 90% 80% 70%

Popular Name: 3-fluoro-4-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]aniline 3-fluoro-4-[(2R)-2-(3-pyridyl)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) 1.96 6.21 -7.59 2 3 0 42 257.312 2 ↓
Lo Low (pH 4.5-6) 1.96 6.68 -27.28 3 3 1 43 258.32 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-chloro-2-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]phenyl]methanamine [4-chloro-2-[(2S)-2-(3-pyridyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.58 7.22 -56.1 3 3 1 44 288.802 3 ↓
Lo Low (pH 4.5-6) 2.58 7.67 -94.15 4 3 2 45 289.81 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-chloro-2-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]phenyl]methanamine [4-chloro-2-[(2R)-2-(3-pyridyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.58 7.28 -54.73 3 3 1 44 288.802 3 ↓
Lo Low (pH 4.5-6) 2.58 7.75 -91.29 4 3 2 45 289.81 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-chloro-4-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]phenyl]methanamine [3-chloro-4-[(2S)-2-(3-pyridyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.58 7.24 -47.41 3 3 1 44 288.802 3 ↓
Hi High (pH 8-9.5) 2.58 6.83 -4.5 2 3 0 42 287.794 3 ↓
Lo Low (pH 4.5-6) 2.58 7.71 -91.9 4 3 2 45 289.81 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-chloro-4-[(2R)-2-(3-pyridyl)pyrrolidin-1-yl]phenyl]methanamine [3-chloro-4-[(2R)-2-(3-pyridyl)p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.58 7.25 -47.37 3 3 1 44 288.802 3 ↓
Hi High (pH 8-9.5) 2.58 6.85 -4.5 2 3 0 42 287.794 3 ↓
Lo Low (pH 4.5-6) 2.58 7.71 -93.43 4 3 2 45 289.81 3 ↓

Parameters Provided:

ring.id = 6188
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 = 6188 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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