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Analogs

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Popular Name: (1S)-1-cyclopropyl-N-methyl-N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]ethanamine (1S)-1-cyclopropyl-N-methyl-N-[[…

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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) 2.07 6.48 -95.29 3 2 2 21 198.354 4 ↓
Mid Mid (pH 6-8) 2.07 4.74 -37.82 2 2 1 20 197.346 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-methyl-N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]ethanamine (1R)-1-cyclopropyl-N-methyl-N-[[…

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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) 2.07 6.58 -95.01 3 2 2 21 198.354 4 ↓
Mid Mid (pH 6-8) 2.07 4.76 -37.12 2 2 1 20 197.346 4 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-N-methyl-ethanamine (1S)-1-cyclopropyl-N-[[(3S)-3-et…

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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) 2.41 6.96 -100.69 3 2 2 21 212.381 5 ↓
Mid Mid (pH 6-8) 2.41 5.21 -37.07 2 2 1 20 211.373 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-N-methyl-ethanamine (1S)-1-cyclopropyl-N-[[(3R)-3-et…

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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) 2.41 6.88 -97.68 3 2 2 21 212.381 5 ↓
Mid Mid (pH 6-8) 2.41 4.97 -38.55 2 2 1 20 211.373 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-methyl-N-[[(3S)-3-propylpyrrolidin-3-yl]methyl]ethanamine (1S)-1-cyclopropyl-N-methyl-N-[[…

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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) 2.97 7.72 -102.49 3 2 2 21 226.408 6 ↓
Mid Mid (pH 6-8) 2.97 5.97 -37.38 2 2 1 20 225.4 6 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-methyl-N-[[(3R)-3-propylpyrrolidin-3-yl]methyl]ethanamine (1S)-1-cyclopropyl-N-methyl-N-[[…

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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) 2.97 7.55 -100.03 3 2 2 21 226.408 6 ↓
Mid Mid (pH 6-8) 2.97 5.89 -38.35 2 2 1 20 225.4 6 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-methyl-1-[(3S)-3-methylpyrrolidin-3-yl]methanamine N-(cyclopropylmethyl)-N-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) 1.74 6.01 -99.29 3 2 2 21 184.327 4 ↓
Mid Mid (pH 6-8) 1.74 4.24 -36.42 2 2 1 20 183.319 4 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-methyl-1-[(3R)-3-methylpyrrolidin-3-yl]methanamine N-(cyclopropylmethyl)-N-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) 1.74 6.17 -97.13 3 2 2 21 184.327 4 ↓
Mid Mid (pH 6-8) 1.74 4.35 -37.92 2 2 1 20 183.319 4 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-1-[(3S)-3-ethylpyrrolidin-3-yl]-N-methyl-methanamine N-(cyclopropylmethyl)-1-[(3S)-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.08 6.61 -100.37 3 2 2 21 198.354 5 ↓
Mid Mid (pH 6-8) 2.08 5.42 -35.32 2 2 1 20 197.346 5 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-1-[(3R)-3-ethylpyrrolidin-3-yl]-N-methyl-methanamine N-(cyclopropylmethyl)-1-[(3R)-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.08 6.54 -98.7 3 2 2 21 198.354 5 ↓
Mid Mid (pH 6-8) 2.08 4.84 -36.83 2 2 1 20 197.346 5 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-methyl-1-[(3S)-3-propylpyrrolidin-3-yl]methanamine N-(cyclopropylmethyl)-N-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) 2.64 7.4 -103.32 3 2 2 21 212.381 6 ↓
Mid Mid (pH 6-8) 2.64 5.67 -37.47 2 2 1 20 211.373 6 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-methyl-1-[(3R)-3-propylpyrrolidin-3-yl]methanamine N-(cyclopropylmethyl)-N-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) 2.64 7.29 -100.71 3 2 2 21 212.381 6 ↓
Mid Mid (pH 6-8) 2.64 5.59 -37.19 2 2 1 20 211.373 6 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-1-[(3S)-3-methylpyrrolidin-3-yl]methanamine N-(cyclopropylmethyl)-1-[(3S)-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.15 4.52 -99.55 4 2 2 33 170.3 4 ↓
Hi High (pH 8-9.5) 1.15 3.36 -36.74 3 2 1 29 169.292 4 ↓
Hi High (pH 8-9.5) 1.15 3.02 -36.98 3 2 1 29 169.292 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-1-[(3R)-3-methylpyrrolidin-3-yl]methanamine N-(cyclopropylmethyl)-1-[(3R)-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.15 4.56 -101.09 4 2 2 33 170.3 4 ↓
Hi High (pH 8-9.5) 1.15 3.26 -36.07 3 2 1 29 169.292 4 ↓
Hi High (pH 8-9.5) 1.15 3.11 -37.57 3 2 1 29 169.292 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-1-[(3S)-3-ethylpyrrolidin-3-yl]methanamine N-(cyclopropylmethyl)-1-[(3S)-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.48 5.08 -101.76 4 2 2 33 184.327 5 ↓
Hi High (pH 8-9.5) 1.48 3.93 -37.53 3 2 1 29 183.319 5 ↓
Hi High (pH 8-9.5) 1.48 3.64 -36.37 3 2 1 29 183.319 5 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-1-[(3R)-3-ethylpyrrolidin-3-yl]methanamine N-(cyclopropylmethyl)-1-[(3R)-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.48 4.93 -102.96 4 2 2 33 184.327 5 ↓
Hi High (pH 8-9.5) 1.48 3.49 -38.32 3 2 1 29 183.319 5 ↓
Hi High (pH 8-9.5) 1.48 3.75 -36.33 3 2 1 29 183.319 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-1-[(3S)-3-propylpyrrolidin-3-yl]methanamine N-(cyclopropylmethyl)-1-[(3S)-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.04 5.85 -103.93 4 2 2 33 198.354 6 ↓
Hi High (pH 8-9.5) 2.04 4.7 -38.04 3 2 1 29 197.346 6 ↓
Hi High (pH 8-9.5) 2.04 4.39 -37.05 3 2 1 29 197.346 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-1-[(3R)-3-propylpyrrolidin-3-yl]methanamine N-(cyclopropylmethyl)-1-[(3R)-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.04 5.67 -104.96 4 2 2 33 198.354 6 ↓
Hi High (pH 8-9.5) 2.04 4.52 -36.87 3 2 1 29 197.346 6 ↓
Hi High (pH 8-9.5) 2.04 4.22 -38.7 3 2 1 29 197.346 6 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]propan-1-amine N-(cyclopropylmethyl)-N-[[(3R)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.62 7.61 -98.11 3 2 2 21 212.381 6 ↓
Mid Mid (pH 6-8) 2.62 6.11 -37.94 2 2 1 20 211.373 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-[[(3S)-3-methylpyrrolidin-3-yl]methyl]propan-1-amine N-(cyclopropylmethyl)-N-[[(3S)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.62 7.51 -96.85 3 2 2 21 212.381 6 ↓
Mid Mid (pH 6-8) 2.62 5.98 -37.78 2 2 1 20 211.373 6 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]propan-1-amine N-(cyclopropylmethyl)-N-[[(3R)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.96 7.97 -99.68 3 2 2 21 226.408 7 ↓
Mid Mid (pH 6-8) 2.96 6.48 -38.34 2 2 1 20 225.4 7 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]propan-1-amine N-(cyclopropylmethyl)-N-[[(3S)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.96 7.95 -98.74 3 2 2 21 226.408 7 ↓
Mid Mid (pH 6-8) 2.96 5.04 -38.95 2 2 1 20 225.4 7 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-[[(3S)-3-propylpyrrolidin-3-yl]methyl]propan-1-amine N-(cyclopropylmethyl)-N-[[(3S)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.52 8.89 -98.97 3 2 2 21 240.435 8 ↓
Mid Mid (pH 6-8) 3.52 6.87 -37.89 2 2 1 20 239.427 8 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-[[(3R)-3-propylpyrrolidin-3-yl]methyl]propan-1-amine N-(cyclopropylmethyl)-N-[[(3R)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.52 8.44 -102.28 3 2 2 21 240.435 8 ↓
Mid Mid (pH 6-8) 3.52 7.13 -39.18 2 2 1 20 239.427 8 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]propan-2-amine N-(cyclopropylmethyl)-N-[[(3R)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.42 6.85 -95.96 3 2 2 21 212.381 5 ↓
Mid Mid (pH 6-8) 2.42 5.33 -37.2 2 2 1 20 211.373 5 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-[[(3S)-3-methylpyrrolidin-3-yl]methyl]propan-2-amine N-(cyclopropylmethyl)-N-[[(3S)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.42 7.02 -94.46 3 2 2 21 212.381 5 ↓
Mid Mid (pH 6-8) 2.42 5.54 -37.72 2 2 1 20 211.373 5 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]propan-2-amine N-(cyclopropylmethyl)-N-[[(3S)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 7.29 -95.63 3 2 2 21 226.408 6 ↓
Mid Mid (pH 6-8) 2.75 5.92 -37.93 2 2 1 20 225.4 6 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]propan-2-amine N-(cyclopropylmethyl)-N-[[(3R)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 7.22 -97.41 3 2 2 21 226.408 6 ↓
Mid Mid (pH 6-8) 2.75 6.07 -38.14 2 2 1 20 225.4 6 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-[[(3S)-3-propylpyrrolidin-3-yl]methyl]propan-2-amine N-(cyclopropylmethyl)-N-[[(3S)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.31 8.03 -97.53 3 2 2 21 240.435 7 ↓
Mid Mid (pH 6-8) 3.31 6.68 -38.52 2 2 1 20 239.427 7 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-[[(3R)-3-propylpyrrolidin-3-yl]methyl]propan-2-amine N-(cyclopropylmethyl)-N-[[(3R)-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.31 7.95 -99.46 3 2 2 21 240.435 7 ↓
Mid Mid (pH 6-8) 3.31 6.82 -39.01 2 2 1 20 239.427 7 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-(2-methoxyethyl)-N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]ethanamine (1S)-1-cyclopropyl-N-(2-methoxye…

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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 4.61 -38.37 2 3 1 29 241.399 7 ↓
Mid Mid (pH 6-8) 2.06 6.05 -95.19 3 3 2 30 242.407 7 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-(2-methoxyethyl)-N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]ethanamine (1R)-1-cyclopropyl-N-(2-methoxye…

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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 5.42 -38.66 2 3 1 29 241.399 7 ↓
Mid Mid (pH 6-8) 2.06 5.88 -95.54 3 3 2 30 242.407 7 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-N-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-2-methoxy-ethanamine N-[(1S)-1-cyclopropylethyl]-N-[[…

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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 5.41 -38.5 2 3 1 29 255.426 8 ↓
Mid Mid (pH 6-8) 2.39 6.89 -94.99 3 3 2 30 256.434 8 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-N-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-2-methoxy-ethanamine N-[(1S)-1-cyclopropylethyl]-N-[[…

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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 3.59 -40.99 2 3 1 29 255.426 8 ↓
Mid Mid (pH 6-8) 2.39 6.87 -99.17 3 3 2 30 256.434 8 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-2-methoxy-N-[[(3S)-3-propylpyrrolidin-3-yl]methyl]ethanamine N-[(1S)-1-cyclopropylethyl]-2-me…

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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) 2.95 6.2 -39.26 2 3 1 29 269.453 9 ↓
Mid Mid (pH 6-8) 2.95 7.66 -96.85 3 3 2 30 270.461 9 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-2-methoxy-N-[[(3R)-3-propylpyrrolidin-3-yl]methyl]ethanamine N-[(1S)-1-cyclopropylethyl]-2-me…

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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) 2.95 4.32 -41.94 2 3 1 29 269.453 9 ↓
Mid Mid (pH 6-8) 2.95 7.61 -101.13 3 3 2 30 270.461 9 ↓

Parameters Provided:

ring.id = 306568
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 = 306568 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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