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Analogs

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Popular Name: N-[[(2S)-1-(4-pyridylmethyl)pyrrolidin-2-yl]methyl]ethanamine N-[[(2S)-1-(4-pyridylmethyl)pyrr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.65 3.71 -44.46 2 3 1 33 220.34 5 ↓
Mid Mid (pH 6-8) 0.65 6.05 -120.03 3 3 2 34 221.348 5 ↓

Analogs

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Popular Name: N-[[(2R)-1-(4-pyridylmethyl)pyrrolidin-2-yl]methyl]ethanamine N-[[(2R)-1-(4-pyridylmethyl)pyrr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.65 4.93 -41.14 2 3 1 33 220.34 5 ↓
Mid Mid (pH 6-8) 0.65 6.72 -121.71 3 3 2 34 221.348 5 ↓

Analogs

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Popular Name: N-[[(2S)-1-(4-pyridylmethyl)pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2S)-1-(4-pyridylmethyl)pyrr…

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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) 1.16 5.64 -41.8 2 3 1 33 234.367 6 ↓
Mid Mid (pH 6-8) 1.16 7.43 -124.19 3 3 2 34 235.375 6 ↓

Analogs

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Popular Name: N-[[(2R)-1-(4-pyridylmethyl)pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2R)-1-(4-pyridylmethyl)pyrr…

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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) 1.16 5.68 -42.12 2 3 1 33 234.367 6 ↓
Mid Mid (pH 6-8) 1.16 7.47 -124.37 3 3 2 34 235.375 6 ↓

Analogs

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Popular Name: N-[[(2S)-1-(4-pyridylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2S)-1-(4-pyridylmethyl)pyrr…

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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) 1.30 4.24 -43.2 2 3 1 33 234.367 5 ↓
Mid Mid (pH 6-8) 1.30 6.56 -119.11 3 3 2 34 235.375 5 ↓

Analogs

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Popular Name: N-[[(2R)-1-(4-pyridylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2R)-1-(4-pyridylmethyl)pyrr…

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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) 1.30 5.46 -40.17 2 3 1 33 234.367 5 ↓
Mid Mid (pH 6-8) 1.30 7.22 -121.04 3 3 2 34 235.375 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[(2S)-1-(4-pyridylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine 2-methyl-N-[[(2S)-1-(4-pyridylme…

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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) 1.81 5.83 -38.24 2 3 1 33 248.394 5 ↓
Mid Mid (pH 6-8) 1.81 7.64 -119.56 3 3 2 34 249.402 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[(2R)-1-(4-pyridylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine 2-methyl-N-[[(2R)-1-(4-pyridylme…

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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) 1.81 5.89 -38.55 2 3 1 33 248.394 5 ↓
Mid Mid (pH 6-8) 1.81 7.66 -119.85 3 3 2 34 249.402 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[(2S)-1-(4-pyridylmethyl)pyrrolidin-2-yl]methyl]propan-1-amine 2-methyl-N-[[(2S)-1-(4-pyridylme…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.40 6.32 -41.59 2 3 1 33 248.394 6 ↓
Mid Mid (pH 6-8) 1.40 8.12 -125.28 3 3 2 34 249.402 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[(2R)-1-(4-pyridylmethyl)pyrrolidin-2-yl]methyl]propan-1-amine 2-methyl-N-[[(2R)-1-(4-pyridylme…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.40 6.36 -41.86 2 3 1 33 248.394 6 ↓
Mid Mid (pH 6-8) 1.40 8.16 -125.02 3 3 2 34 249.402 6 ↓

Analogs

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Popular Name: 2-methoxy-N-[[(2S)-1-(4-pyridylmethyl)pyrrolidin-2-yl]methyl]ethanamine 2-methoxy-N-[[(2S)-1-(4-pyridylm…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.26 4.56 -34.18 2 4 1 39 250.366 7 ↓
Mid Mid (pH 6-8) 0.26 4.02 -39.93 2 4 1 42 250.366 7 ↓
Lo Low (pH 4.5-6) 0.26 5.81 -120.92 3 4 2 43 251.374 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[[(2R)-1-(4-pyridylmethyl)pyrrolidin-2-yl]methyl]ethanamine 2-methoxy-N-[[(2R)-1-(4-pyridylm…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.26 4.51 -34.74 2 4 1 39 250.366 7 ↓
Mid Mid (pH 6-8) 0.26 4.06 -41.28 2 4 1 42 250.366 7 ↓
Lo Low (pH 4.5-6) 0.26 5.86 -120.21 3 4 2 43 251.374 7 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(4-pyridylmethyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(4-pyridylmethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.44 6.82 -51.57 1 4 0 57 220.272 3 ↓
Hi High (pH 8-9.5) 0.44 4.35 -48.34 0 4 -1 56 219.264 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(4-pyridylmethyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(4-pyridylmethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.44 6.8 -49.83 1 4 0 57 220.272 3 ↓
Hi High (pH 8-9.5) 0.44 4.27 -44.4 0 4 -1 56 219.264 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(4-pyridylmethyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(4-pyridylmethyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.78 7.32 -47.89 1 4 0 57 234.299 4 ↓
Hi High (pH 8-9.5) 0.78 4.79 -48.21 0 4 -1 56 233.291 4 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(4-pyridylmethyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(4-pyridylmethyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.78 7.27 -48.63 1 4 0 57 234.299 4 ↓
Hi High (pH 8-9.5) 0.78 4.75 -43.48 0 4 -1 56 233.291 4 ↓

Analogs

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Popular Name: (3S)-1-[(1R,2S)-2-amino-1-(4-pyridyl)butyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(1R,2S)-2-amino-1-(4-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) 0.53 4.55 -96.67 4 4 2 48 264.417 5 ↓
Hi High (pH 8-9.5) 0.53 1.88 -3.34 2 4 0 45 262.401 5 ↓
Mid Mid (pH 6-8) 0.53 2.14 -40.66 3 4 1 47 263.409 5 ↓

Analogs

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Popular Name: (3S)-1-[(1R,2R)-2-amino-1-(4-pyridyl)butyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(1R,2R)-2-amino-1-(4-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) 0.53 4.63 -94.47 4 4 2 48 264.417 5 ↓
Hi High (pH 8-9.5) 0.53 1.99 -3.01 2 4 0 45 262.401 5 ↓
Mid Mid (pH 6-8) 0.53 2.24 -45.42 3 4 1 47 263.409 5 ↓

Analogs

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Popular Name: (3S)-1-[(1S,2S)-2-amino-1-(4-pyridyl)butyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(1S,2S)-2-amino-1-(4-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) 0.53 4.59 -97.21 4 4 2 48 264.417 5 ↓
Hi High (pH 8-9.5) 0.53 1.94 -3.51 2 4 0 45 262.401 5 ↓
Mid Mid (pH 6-8) 0.53 2.2 -44.55 3 4 1 47 263.409 5 ↓

Analogs

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Popular Name: (3S)-1-[(1S,2R)-2-amino-1-(4-pyridyl)butyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(1S,2R)-2-amino-1-(4-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) 0.53 4.57 -95.73 4 4 2 48 264.417 5 ↓
Hi High (pH 8-9.5) 0.53 1.85 -2.65 2 4 0 45 262.401 5 ↓
Mid Mid (pH 6-8) 0.53 2.18 -41.53 3 4 1 47 263.409 5 ↓

Analogs

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Popular Name: (3R)-1-[(1R)-2-amino-1-(4-pyridyl)ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[(1R)-2-amino-1-(4-pyridy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.41 2.71 -98.14 4 4 2 48 236.363 4 ↓
Hi High (pH 8-9.5) -0.41 0.17 -3.34 2 4 0 45 234.347 4 ↓
Mid Mid (pH 6-8) -0.41 0.33 -47.47 3 4 1 47 235.355 4 ↓

Analogs

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Popular Name: (3S)-1-[(1R)-2-amino-1-(4-pyridyl)ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(1R)-2-amino-1-(4-pyridy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.41 2.77 -97.32 4 4 2 48 236.363 4 ↓
Hi High (pH 8-9.5) -0.41 0.15 -3.3 2 4 0 45 234.347 4 ↓
Mid Mid (pH 6-8) -0.41 0.39 -47.94 3 4 1 47 235.355 4 ↓

Analogs

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Popular Name: (3S)-1-[(1R,2S)-2-amino-1-(4-pyridyl)propyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(1R,2S)-2-amino-1-(4-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) -0.01 2.84 -91.78 4 4 2 48 250.39 4 ↓
Hi High (pH 8-9.5) -0.01 0.18 -3.61 2 4 0 45 248.374 4 ↓
Mid Mid (pH 6-8) -0.01 0.44 -44.45 3 4 1 47 249.382 4 ↓

Analogs

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Popular Name: (3S)-1-[(1R,2R)-2-amino-1-(4-pyridyl)propyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(1R,2R)-2-amino-1-(4-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) -0.01 3.87 -103.01 4 4 2 48 250.39 4 ↓
Hi High (pH 8-9.5) -0.01 1.15 -2.9 2 4 0 45 248.374 4 ↓
Mid Mid (pH 6-8) -0.01 0.28 -46.94 3 4 1 47 249.382 4 ↓

Analogs

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Popular Name: (3S)-1-[(1S,2S)-2-amino-1-(4-pyridyl)propyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(1S,2S)-2-amino-1-(4-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) -0.01 3.96 -101.11 4 4 2 48 250.39 4 ↓
Hi High (pH 8-9.5) -0.01 1.26 -2.54 2 4 0 45 248.374 4 ↓
Mid Mid (pH 6-8) -0.01 0.37 -46.53 3 4 1 47 249.382 4 ↓

Analogs

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Popular Name: (3S)-1-[(1S,2R)-2-amino-1-(4-pyridyl)propyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(1S,2R)-2-amino-1-(4-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) -0.01 2.91 -93.14 4 4 2 48 250.39 4 ↓
Hi High (pH 8-9.5) -0.01 0.19 -3.11 2 4 0 45 248.374 4 ↓
Mid Mid (pH 6-8) -0.01 0.52 -44.6 3 4 1 47 249.382 4 ↓

Analogs

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Popular Name: (3R)-1-[(2-chloro-4-pyridyl)methyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[(2-chloro-4-pyridyl)meth…

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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) 1.62 4.88 -40.74 1 3 1 21 240.758 3 ↓
Hi High (pH 8-9.5) 1.62 2.47 -4.61 0 3 0 19 239.75 3 ↓
Lo Low (pH 4.5-6) 1.62 7.23 -117.25 2 3 2 22 241.766 3 ↓

Analogs

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Popular Name: (3S)-1-[(2-chloro-4-pyridyl)methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(2-chloro-4-pyridyl)meth…

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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) 1.62 4.91 -40.18 1 3 1 21 240.758 3 ↓
Hi High (pH 8-9.5) 1.62 2.53 -5.03 0 3 0 19 239.75 3 ↓
Lo Low (pH 4.5-6) 1.62 7.26 -117.35 2 3 2 22 241.766 3 ↓

Analogs

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Popular Name: 4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]pyridin-2-amine 4-[[(3R)-3-(dimethylamino)pyrrol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.43 3.16 -38.04 3 4 1 47 221.328 3 ↓
Hi High (pH 8-9.5) 0.43 0.8 -4.43 2 4 0 45 220.32 3 ↓
Mid Mid (pH 6-8) 0.43 3.2 -38.82 3 4 1 47 221.328 3 ↓

Analogs

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Popular Name: 4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]pyridin-2-amine 4-[[(3S)-3-(dimethylamino)pyrrol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.43 3.19 -38.52 3 4 1 47 221.328 3 ↓
Hi High (pH 8-9.5) 0.43 0.85 -4.71 2 4 0 45 220.32 3 ↓
Mid Mid (pH 6-8) 0.43 3.23 -38.49 3 4 1 47 221.328 3 ↓

Analogs

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Popular Name: 4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-methyl-pyridin-2-amine 4-[[(3S)-3-(dimethylamino)pyrrol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.80 4.2 -38.38 2 4 1 33 235.355 4 ↓
Hi High (pH 8-9.5) 0.80 1.74 -5.1 1 4 0 31 234.347 4 ↓
Mid Mid (pH 6-8) 0.80 4.6 -74.45 3 4 2 34 236.363 4 ↓

Analogs

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Popular Name: 4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-methyl-pyridin-2-amine 4-[[(3R)-3-(dimethylamino)pyrrol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.80 4.18 -38.39 2 4 1 33 235.355 4 ↓
Hi High (pH 8-9.5) 0.80 1.76 -4.7 1 4 0 31 234.347 4 ↓
Mid Mid (pH 6-8) 0.80 4.61 -74.94 3 4 2 34 236.363 4 ↓

Analogs

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Popular Name: 4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-pyridin-2-amine 4-[[(3S)-3-(dimethylamino)pyrrol…

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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) 1.18 5.01 -38.2 2 4 1 33 249.382 5 ↓
Hi High (pH 8-9.5) 1.18 2.54 -4.76 1 4 0 31 248.374 5 ↓
Mid Mid (pH 6-8) 1.18 4.93 -37.52 2 4 1 33 249.382 5 ↓

Analogs

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Popular Name: 4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-pyridin-2-amine 4-[[(3R)-3-(dimethylamino)pyrrol…

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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) 1.18 4.98 -38.22 2 4 1 33 249.382 5 ↓
Hi High (pH 8-9.5) 1.18 2.56 -4.31 1 4 0 31 248.374 5 ↓
Mid Mid (pH 6-8) 1.18 4.94 -38.67 2 4 1 33 249.382 5 ↓

Analogs

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Popular Name: 4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-propyl-pyridin-2-amine 4-[[(3S)-3-(dimethylamino)pyrrol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.68 5.77 -38.06 2 4 1 33 263.409 6 ↓
Hi High (pH 8-9.5) 1.68 3.31 -4.48 1 4 0 31 262.401 6 ↓
Mid Mid (pH 6-8) 1.68 6.17 -74.87 3 4 2 34 264.417 6 ↓

Analogs

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Popular Name: 4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-propyl-pyridin-2-amine 4-[[(3R)-3-(dimethylamino)pyrrol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.68 5.74 -38.18 2 4 1 33 263.409 6 ↓
Hi High (pH 8-9.5) 1.68 3.33 -4.07 1 4 0 31 262.401 6 ↓
Mid Mid (pH 6-8) 1.68 6.18 -75.33 3 4 2 34 264.417 6 ↓

Analogs

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Popular Name: 4-[[(3R)-3-(diethylamino)pyrrolidin-1-yl]methyl]pyridin-2-amine 4-[[(3R)-3-(diethylamino)pyrroli…

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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) 1.18 4.48 -38.94 3 4 1 47 249.382 5 ↓
Hi High (pH 8-9.5) 1.18 2.14 -4.14 2 4 0 45 248.374 5 ↓
Mid Mid (pH 6-8) 1.18 4.26 -36.83 3 4 1 47 249.382 5 ↓

Analogs

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Popular Name: 4-[[(3S)-3-(diethylamino)pyrrolidin-1-yl]methyl]pyridin-2-amine 4-[[(3S)-3-(diethylamino)pyrroli…

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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) 1.18 4.51 -38.87 3 4 1 47 249.382 5 ↓
Hi High (pH 8-9.5) 1.18 2.06 -4.06 2 4 0 45 248.374 5 ↓
Mid Mid (pH 6-8) 1.18 4.24 -36.87 3 4 1 47 249.382 5 ↓

Analogs

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Popular Name: 4-[[(3R)-3-(diethylamino)pyrrolidin-1-yl]methyl]-N-methyl-pyridin-2-amine 4-[[(3R)-3-(diethylamino)pyrroli…

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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) 1.55 5.52 -39.44 2 4 1 33 263.409 6 ↓
Hi High (pH 8-9.5) 1.55 3.03 -4.23 1 4 0 31 262.401 6 ↓
Mid Mid (pH 6-8) 1.55 5.61 -73.49 3 4 2 34 264.417 6 ↓

Analogs

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Popular Name: 4-[[(3S)-3-(diethylamino)pyrrolidin-1-yl]methyl]-N-methyl-pyridin-2-amine 4-[[(3S)-3-(diethylamino)pyrroli…

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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) 1.55 5.4 -38.72 2 4 1 33 263.409 6 ↓
Hi High (pH 8-9.5) 1.55 2.96 -4.25 1 4 0 31 262.401 6 ↓
Mid Mid (pH 6-8) 1.55 5.57 -73.94 3 4 2 34 264.417 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3S)-3-(diethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-pyridin-2-amine 4-[[(3S)-3-(diethylamino)pyrroli…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.93 6.33 -38.58 2 4 1 33 277.436 7 ↓
Hi High (pH 8-9.5) 1.93 3.83 -3.94 1 4 0 31 276.428 7 ↓
Mid Mid (pH 6-8) 1.93 6.38 -74.19 3 4 2 34 278.444 7 ↓

Analogs

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Popular Name: 4-[[(3R)-3-(diethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-pyridin-2-amine 4-[[(3R)-3-(diethylamino)pyrroli…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.93 6.36 -39.21 2 4 1 33 277.436 7 ↓
Hi High (pH 8-9.5) 1.93 3.94 -3.86 1 4 0 31 276.428 7 ↓
Mid Mid (pH 6-8) 1.93 6.43 -73.87 3 4 2 34 278.444 7 ↓

Analogs

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Popular Name: 4-[[(3S)-3-(diethylamino)pyrrolidin-1-yl]methyl]-N-propyl-pyridin-2-amine 4-[[(3S)-3-(diethylamino)pyrroli…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.43 7.09 -38.43 2 4 1 33 291.463 8 ↓
Hi High (pH 8-9.5) 2.43 4.6 -3.7 1 4 0 31 290.455 8 ↓
Mid Mid (pH 6-8) 2.43 6.71 -36.9 2 4 1 33 291.463 8 ↓

Analogs

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Popular Name: 4-[[(3R)-3-(diethylamino)pyrrolidin-1-yl]methyl]-N-propyl-pyridin-2-amine 4-[[(3R)-3-(diethylamino)pyrroli…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.43 7.01 -39.28 2 4 1 33 291.463 8 ↓
Hi High (pH 8-9.5) 2.43 4.69 -3.65 1 4 0 31 290.455 8 ↓
Mid Mid (pH 6-8) 2.43 7.23 -74.2 3 4 2 34 292.471 8 ↓

Analogs

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Popular Name: (3R)-1-[(2-hydrazino-4-pyridyl)methyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[(2-hydrazino-4-pyridyl)m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.18 3.06 -39.99 4 5 1 59 236.343 4 ↓
Hi High (pH 8-9.5) 0.18 0.7 -5.53 3 5 0 57 235.335 4 ↓
Mid Mid (pH 6-8) 0.18 3.11 -40.08 4 5 1 59 236.343 4 ↓

Analogs

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Popular Name: (3S)-1-[(2-hydrazino-4-pyridyl)methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(2-hydrazino-4-pyridyl)m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.18 3.09 -40.41 4 5 1 59 236.343 4 ↓
Hi High (pH 8-9.5) 0.18 0.76 -5.83 3 5 0 57 235.335 4 ↓
Mid Mid (pH 6-8) 0.18 3.14 -39.79 4 5 1 59 236.343 4 ↓

Analogs

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Popular Name: (3R)-N,N-diethyl-1-[(2-hydrazino-4-pyridyl)methyl]pyrrolidin-3-amine (3R)-N,N-diethyl-1-[(2-hydrazino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.94 4.47 -40.51 4 5 1 59 264.397 6 ↓
Hi High (pH 8-9.5) 0.94 2.14 -5.14 3 5 0 57 263.389 6 ↓
Mid Mid (pH 6-8) 0.94 4.16 -38.06 4 5 1 59 264.397 6 ↓

Analogs

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Popular Name: (3S)-N,N-diethyl-1-[(2-hydrazino-4-pyridyl)methyl]pyrrolidin-3-amine (3S)-N,N-diethyl-1-[(2-hydrazino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.94 4.41 -40.42 4 5 1 59 264.397 6 ↓
Hi High (pH 8-9.5) 0.94 1.95 -5.09 3 5 0 57 263.389 6 ↓
Mid Mid (pH 6-8) 0.94 4.14 -38.23 4 5 1 59 264.397 6 ↓

Analogs

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Popular Name: (3S)-1-[(1R,2S)-2-amino-1-(4-pyridyl)butyl]-N,N-diethyl-pyrrolidin-3-amine (3S)-1-[(1R,2S)-2-amino-1-(4-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) 1.28 5.59 -97.29 4 4 2 48 292.471 7 ↓
Mid Mid (pH 6-8) 1.28 3.51 -40.47 3 4 1 47 291.463 7 ↓

Analogs

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Popular Name: (3S)-1-[(1R,2R)-2-amino-1-(4-pyridyl)butyl]-N,N-diethyl-pyrrolidin-3-amine (3S)-1-[(1R,2R)-2-amino-1-(4-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) 1.28 4.54 -96.42 4 4 2 48 292.471 7 ↓
Mid Mid (pH 6-8) 1.28 2.41 -46.2 3 4 1 47 291.463 7 ↓

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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