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Analogs

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Popular Name: (1S,2R)-2-[[(3R)-1-ethylpyrrolidin-3-yl]methylamino]cyclopentanecarbonitrile (1S,2R)-2-[[(3R)-1-ethylpyrrolid…

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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) 2.06 6.46 -34.78 2 3 1 40 222.356 4 ↓

Analogs

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Popular Name: (1S,2R)-2-[[(3S)-1-ethylpyrrolidin-3-yl]methylamino]cyclopentanecarbonitrile (1S,2R)-2-[[(3S)-1-ethylpyrrolid…

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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) 2.06 6.5 -34.3 2 3 1 40 222.356 4 ↓

Analogs

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Popular Name: (1S,2R)-2-[[(3R)-1-methylpyrrolidin-3-yl]methylamino]cyclopentanecarbonitrile (1S,2R)-2-[[(3R)-1-methylpyrroli…

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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 5.72 -36.03 2 3 1 40 208.329 3 ↓

Analogs

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Popular Name: (1S,2R)-2-[[(3S)-1-methylpyrrolidin-3-yl]methylamino]cyclopentanecarbonitrile (1S,2R)-2-[[(3S)-1-methylpyrroli…

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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 5.78 -35.15 2 3 1 40 208.329 3 ↓

Analogs

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Popular Name: (1S,2R)-2-[[(3R)-1-isopropylpyrrolidin-3-yl]methylamino]cyclopentanecarbonitrile (1S,2R)-2-[[(3R)-1-isopropylpyrr…

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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) 2.35 6.97 -33.47 2 3 1 40 236.383 4 ↓

Analogs

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Popular Name: (1S,2R)-2-[[(3S)-1-isopropylpyrrolidin-3-yl]methylamino]cyclopentanecarbonitrile (1S,2R)-2-[[(3S)-1-isopropylpyrr…

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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) 2.35 7 -33.01 2 3 1 40 236.383 4 ↓

Analogs

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Popular Name: N-methyl-N-[[(3S)-3-methylpyrrolidin-3-yl]methyl]cyclopentanamine N-methyl-N-[[(3S)-3-methylpyrrol…

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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) 2.27 6.36 -99.06 3 2 2 21 198.354 3 ↓
Mid Mid (pH 6-8) 2.27 4.47 -36.27 2 2 1 20 197.346 3 ↓

Analogs

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Popular Name: N-methyl-N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]cyclopentanamine N-methyl-N-[[(3R)-3-methylpyrrol…

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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) 2.27 6.46 -99.88 3 2 2 21 198.354 3 ↓
Mid Mid (pH 6-8) 2.27 4.73 -36.14 2 2 1 20 197.346 3 ↓

Analogs

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Popular Name: N-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-N-methyl-cyclopentanamine N-[[(3S)-3-ethylpyrrolidin-3-yl]…

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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) 2.61 7.04 -104.53 3 2 2 21 212.381 4 ↓
Mid Mid (pH 6-8) 2.61 5.8 -35.49 2 2 1 20 211.373 4 ↓

Analogs

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Popular Name: N-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-N-methyl-cyclopentanamine N-[[(3R)-3-ethylpyrrolidin-3-yl]…

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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) 2.61 6.77 -101.42 3 2 2 21 212.381 4 ↓
Mid Mid (pH 6-8) 2.61 4.87 -36.69 2 2 1 20 211.373 4 ↓

Analogs

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Popular Name: N-methyl-N-[[(3S)-3-propylpyrrolidin-3-yl]methyl]cyclopentanamine N-methyl-N-[[(3S)-3-propylpyrrol…

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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) 3.17 7.8 -106.27 3 2 2 21 226.408 5 ↓
Mid Mid (pH 6-8) 3.17 6.54 -35.86 2 2 1 20 225.4 5 ↓

Analogs

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Popular Name: N-methyl-N-[[(3R)-3-propylpyrrolidin-3-yl]methyl]cyclopentanamine N-methyl-N-[[(3R)-3-propylpyrrol…

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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) 3.17 7.61 -100.37 3 2 2 21 226.408 5 ↓
Mid Mid (pH 6-8) 3.17 5.75 -38.08 2 2 1 20 225.4 5 ↓

Analogs

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Popular Name: N-ethyl-N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]cyclopentanamine N-ethyl-N-[[(3R)-3-methylpyrroli…

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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 6.85 -95.26 3 2 2 21 212.381 4 ↓
Mid Mid (pH 6-8) 2.65 5.35 -37.36 2 2 1 20 211.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[[(3S)-3-methylpyrrolidin-3-yl]methyl]cyclopentanamine N-ethyl-N-[[(3S)-3-methylpyrroli…

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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 5.89 -94.89 3 2 2 21 212.381 4 ↓
Mid Mid (pH 6-8) 2.65 5.27 -36.99 2 2 1 20 211.373 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]cyclopentanamine N-ethyl-N-[[(3S)-3-ethylpyrrolid…

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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) 2.98 7.4 -97.26 3 2 2 21 226.408 5 ↓
Mid Mid (pH 6-8) 2.98 5.63 -37.21 2 2 1 20 225.4 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]cyclopentanamine N-ethyl-N-[[(3R)-3-ethylpyrrolid…

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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) 2.98 7.19 -96.88 3 2 2 21 226.408 5 ↓
Mid Mid (pH 6-8) 2.98 5.64 -37.75 2 2 1 20 225.4 5 ↓

Analogs

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Popular Name: N-ethyl-N-[[(3S)-3-propylpyrrolidin-3-yl]methyl]cyclopentanamine N-ethyl-N-[[(3S)-3-propylpyrroli…

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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) 3.54 7.35 -98.41 3 2 2 21 240.435 6 ↓
Mid Mid (pH 6-8) 3.54 6.53 -38.04 2 2 1 20 239.427 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[[(3R)-3-propylpyrrolidin-3-yl]methyl]cyclopentanamine N-ethyl-N-[[(3R)-3-propylpyrroli…

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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) 3.54 7.94 -98.8 3 2 2 21 240.435 6 ↓
Mid Mid (pH 6-8) 3.54 6.46 -38.46 2 2 1 20 239.427 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-methylpyrrolidin-3-yl]methyl]cyclopentanamine N-[[(3S)-3-methylpyrrolidin-3-yl…

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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) 2.03 4.89 -99.31 4 2 2 33 184.327 3 ↓
Hi High (pH 8-9.5) 2.03 3.38 -35.72 3 2 1 29 183.319 3 ↓
Hi High (pH 8-9.5) 2.03 3.87 -36.58 3 2 1 29 183.319 3 ↓

Analogs

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Popular Name: N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]cyclopentanamine N-[[(3R)-3-methylpyrrolidin-3-yl…

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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) 2.03 4.93 -100.24 4 2 2 33 184.327 3 ↓
Hi High (pH 8-9.5) 2.03 3.78 -35.79 3 2 1 29 183.319 3 ↓
Hi High (pH 8-9.5) 2.03 3.48 -36.24 3 2 1 29 183.319 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]cyclopentanamine N-[[(3S)-3-ethylpyrrolidin-3-yl]…

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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 5.42 -101.43 4 2 2 33 198.354 4 ↓
Hi High (pH 8-9.5) 2.36 3.99 -35.04 3 2 1 29 197.346 4 ↓
Hi High (pH 8-9.5) 2.36 4.44 -37.3 3 2 1 29 197.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]cyclopentanamine N-[[(3R)-3-ethylpyrrolidin-3-yl]…

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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 5.3 -102.04 4 2 2 33 198.354 4 ↓
Hi High (pH 8-9.5) 2.36 3.86 -36.98 3 2 1 29 197.346 4 ↓
Hi High (pH 8-9.5) 2.36 4.25 -36.02 3 2 1 29 197.346 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-propylpyrrolidin-3-yl]methyl]cyclopentanamine N-[[(3S)-3-propylpyrrolidin-3-yl…

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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 6.19 -103.63 4 2 2 33 212.381 5 ↓
Hi High (pH 8-9.5) 2.92 5.19 -37.84 3 2 1 29 211.373 5 ↓
Hi High (pH 8-9.5) 2.92 4.74 -35.78 3 2 1 29 211.373 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-propylpyrrolidin-3-yl]methyl]cyclopentanamine N-[[(3R)-3-propylpyrrolidin-3-yl…

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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 -104.58 4 2 2 33 212.381 5 ↓
Hi High (pH 8-9.5) 2.92 4.55 -37.39 3 2 1 29 211.373 5 ↓
Hi High (pH 8-9.5) 2.92 5.02 -36.7 3 2 1 29 211.373 5 ↓

Analogs

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Popular Name: (1R,2S)-2-methoxy-N-[[(3S)-3-methylpyrrolidin-3-yl]methyl]cyclopentanamine (1R,2S)-2-methoxy-N-[[(3S)-3-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.50 4.37 -96.48 4 3 2 42 214.353 4 ↓
Mid Mid (pH 6-8) 1.50 3.36 -37.05 3 3 1 38 213.345 4 ↓

Analogs

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Popular Name: (1R,2S)-2-methoxy-N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]cyclopentanamine (1R,2S)-2-methoxy-N-[[(3R)-3-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.50 4.4 -97.34 4 3 2 42 214.353 4 ↓
Mid Mid (pH 6-8) 1.50 3.27 -36.39 3 3 1 38 213.345 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methoxy-N-[[(3S)-3-methylpyrrolidin-3-yl]methyl]cyclopentanamine (1S,2S)-2-methoxy-N-[[(3S)-3-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.50 3.84 -101.87 4 3 2 42 214.353 4 ↓
Mid Mid (pH 6-8) 1.50 2.89 -38.86 3 3 1 38 213.345 4 ↓

Analogs

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Popular Name: (1S,2S)-2-methoxy-N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]cyclopentanamine (1S,2S)-2-methoxy-N-[[(3R)-3-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.50 3.88 -102.45 4 3 2 42 214.353 4 ↓
Mid Mid (pH 6-8) 1.50 2.81 -37.32 3 3 1 38 213.345 4 ↓

Analogs

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Popular Name: (1R,2S)-N-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-2-methoxy-cyclopentanamine (1R,2S)-N-[[(3S)-3-ethylpyrrolid…

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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 4.91 -98.74 4 3 2 42 228.38 5 ↓
Mid Mid (pH 6-8) 1.83 3.93 -37.77 3 3 1 38 227.372 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-2-methoxy-cyclopentanamine (1R,2S)-N-[[(3R)-3-ethylpyrrolid…

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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 4.78 -99.08 4 3 2 42 228.38 5 ↓
Mid Mid (pH 6-8) 1.83 3.74 -36.73 3 3 1 38 227.372 5 ↓

Analogs

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Popular Name: (1S,2S)-N-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-2-methoxy-cyclopentanamine (1S,2S)-N-[[(3S)-3-ethylpyrrolid…

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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 4.4 -104 4 3 2 42 228.38 5 ↓
Mid Mid (pH 6-8) 1.83 3.46 -39.77 3 3 1 38 227.372 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-2-methoxy-cyclopentanamine (1S,2S)-N-[[(3R)-3-ethylpyrrolid…

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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 4.25 -104.25 4 3 2 42 228.38 5 ↓
Mid Mid (pH 6-8) 1.83 3.3 -37.39 3 3 1 38 227.372 5 ↓

Analogs

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Popular Name: (1R,2S)-2-methoxy-N-[[(3S)-3-propylpyrrolidin-3-yl]methyl]cyclopentanamine (1R,2S)-2-methoxy-N-[[(3S)-3-pro…

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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) 2.39 5.66 -100.89 4 3 2 42 242.407 6 ↓
Mid Mid (pH 6-8) 2.39 4.69 -38.31 3 3 1 38 241.399 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methoxy-N-[[(3R)-3-propylpyrrolidin-3-yl]methyl]cyclopentanamine (1R,2S)-2-methoxy-N-[[(3R)-3-pro…

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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) 2.39 5.51 -101.01 4 3 2 42 242.407 6 ↓
Mid Mid (pH 6-8) 2.39 4.51 -37.15 3 3 1 38 241.399 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methoxy-N-[[(3S)-3-propylpyrrolidin-3-yl]methyl]cyclopentanamine (1S,2S)-2-methoxy-N-[[(3S)-3-pro…

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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) 2.39 5.15 -106.15 4 3 2 42 242.407 6 ↓
Mid Mid (pH 6-8) 2.39 4.23 -40.28 3 3 1 38 241.399 6 ↓

Analogs

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Popular Name: (1S,2S)-2-methoxy-N-[[(3R)-3-propylpyrrolidin-3-yl]methyl]cyclopentanamine (1S,2S)-2-methoxy-N-[[(3R)-3-pro…

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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) 2.39 4.98 -106.27 4 3 2 42 242.407 6 ↓
Mid Mid (pH 6-8) 2.39 4.06 -37.91 3 3 1 38 241.399 6 ↓

Parameters Provided:

ring.id = 156179
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 = 156179 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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