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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N-[[(3R)-1-[2-(dimethylamino)-2-methyl-propyl]pyrrolidin-3-yl]methyl]cyclopropanamine N-[[(3R)-1-[2-(dimethylamino)-2-…

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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 3.43 -35.13 2 3 1 23 240.415 6 ↓
Mid Mid (pH 6-8) 1.84 6.09 -80.64 3 3 2 24 241.423 6 ↓
Mid Mid (pH 6-8) 1.84 6.31 -96.8 3 3 2 24 241.423 6 ↓

Analogs

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Popular Name: N-[[(3S)-1-[2-(dimethylamino)-2-methyl-propyl]pyrrolidin-3-yl]methyl]cyclopropanamine N-[[(3S)-1-[2-(dimethylamino)-2-…

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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 3.47 -35.93 2 3 1 23 240.415 6 ↓
Mid Mid (pH 6-8) 1.84 6.23 -96.81 3 3 2 24 241.423 6 ↓
Mid Mid (pH 6-8) 1.84 6.1 -79.11 3 3 2 24 241.423 6 ↓

Analogs

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Popular Name: N-[[(3R)-1-(1,1,3,3-tetramethylbutyl)pyrrolidin-3-yl]methyl]cyclopropanamine N-[[(3R)-1-(1,1,3,3-tetramethylb…

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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) 3.78 8.55 -98.24 3 2 2 21 254.462 6 ↓
Mid Mid (pH 6-8) 3.78 9.02 -36.89 2 2 1 20 253.454 6 ↓

Analogs

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Popular Name: N-[[(3S)-1-(1,1,3,3-tetramethylbutyl)pyrrolidin-3-yl]methyl]cyclopropanamine N-[[(3S)-1-(1,1,3,3-tetramethylb…

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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) 3.78 8.45 -98.26 3 2 2 21 254.462 6 ↓
Mid Mid (pH 6-8) 3.78 8.91 -36.51 2 2 1 20 253.454 6 ↓

Analogs

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Popular Name: N-[[(3R)-1-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine N-[[(3R)-1-[2-[2-methoxyethyl(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) 1.01 2.31 -37.84 2 4 1 32 256.414 9 ↓
Mid Mid (pH 6-8) 1.01 4.69 -80.01 3 4 2 34 257.422 9 ↓
Lo Low (pH 4.5-6) 1.01 7.14 -185.08 4 4 3 35 258.43 9 ↓

Analogs

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Popular Name: N-ethyl-N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]cyclopropanamine 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) 1.62 5.98 -93.4 3 2 2 21 184.327 4 ↓
Mid Mid (pH 6-8) 1.62 4.31 -38.11 2 2 1 20 183.319 4 ↓

Analogs

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Popular Name: N-ethyl-N-[[(3S)-3-methylpyrrolidin-3-yl]methyl]cyclopropanamine 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) 1.62 5.71 -91.56 3 2 2 21 184.327 4 ↓
Mid Mid (pH 6-8) 1.62 4.2 -37.13 2 2 1 20 183.319 4 ↓

Analogs

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Popular Name: N-ethyl-N-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]cyclopropanamine 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) 1.95 6.46 -99.43 3 2 2 21 198.354 5 ↓
Hi High (pH 8-9.5) 1.95 5.01 -27.05 2 2 1 16 197.346 5 ↓
Mid Mid (pH 6-8) 1.95 3.09 -37.97 2 2 1 20 197.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]cyclopropanamine 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) 1.95 6.33 -94.93 3 2 2 21 198.354 5 ↓
Hi High (pH 8-9.5) 1.95 4.85 -30.66 2 2 1 16 197.346 5 ↓
Mid Mid (pH 6-8) 1.95 4.66 -38.64 2 2 1 20 197.346 5 ↓

Analogs

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Popular Name: N-ethyl-N-[[(3S)-3-propylpyrrolidin-3-yl]methyl]cyclopropanamine 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) 2.51 6.18 -96.97 3 2 2 21 212.381 6 ↓
Mid Mid (pH 6-8) 2.51 3.84 -38.78 2 2 1 20 211.373 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[[(3R)-3-propylpyrrolidin-3-yl]methyl]cyclopropanamine 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) 2.51 6.68 -96.8 3 2 2 21 212.381 6 ↓
Mid Mid (pH 6-8) 2.51 5.42 -38.11 2 2 1 20 211.373 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[(3S)-3-methylpyrrolidin-3-yl]methyl]cyclopropanamine 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) 1.24 5.22 -95.78 3 2 2 21 170.3 3 ↓
Hi High (pH 8-9.5) 1.24 3.76 -30.43 2 2 1 16 169.292 3 ↓
Mid Mid (pH 6-8) 1.24 3.32 -36.83 2 2 1 20 169.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]cyclopropanamine 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) 1.24 5.33 -93.35 3 2 2 21 170.3 3 ↓
Hi High (pH 8-9.5) 1.24 3.86 -31.52 2 2 1 16 169.292 3 ↓
Mid Mid (pH 6-8) 1.24 3.53 -37.67 2 2 1 20 169.292 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-N-methyl-cyclopropanamine 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) 1.57 5.57 -95.89 3 2 2 21 184.327 4 ↓
Hi High (pH 8-9.5) 1.57 4.11 -30.4 2 2 1 16 183.319 4 ↓
Mid Mid (pH 6-8) 1.57 3.9 -36.86 2 2 1 20 183.319 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-N-methyl-cyclopropanamine 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) 1.57 5.5 -94.57 3 2 2 21 184.327 4 ↓
Hi High (pH 8-9.5) 1.57 4.04 -32.54 2 2 1 16 183.319 4 ↓
Mid Mid (pH 6-8) 1.57 3.81 -37.47 2 2 1 20 183.319 4 ↓

Analogs

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Popular Name: N-methyl-N-[[(3S)-3-propylpyrrolidin-3-yl]methyl]cyclopropanamine 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) 2.13 6.57 -99.37 3 2 2 21 198.354 5 ↓
Mid Mid (pH 6-8) 2.13 4.77 -37.8 2 2 1 20 197.346 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[[(3R)-3-propylpyrrolidin-3-yl]methyl]cyclopropanamine 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) 2.13 6.44 -96.71 3 2 2 21 198.354 5 ↓
Mid Mid (pH 6-8) 2.13 4.63 -38.95 2 2 1 20 197.346 5 ↓

Analogs

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Popular Name: N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]-N-propyl-cyclopropanamine 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) 2.12 6.75 -94.43 3 2 2 21 198.354 5 ↓
Mid Mid (pH 6-8) 2.12 5.34 -37.87 2 2 1 20 197.346 5 ↓

Analogs

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Popular Name: N-[[(3S)-3-methylpyrrolidin-3-yl]methyl]-N-propyl-cyclopropanamine 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) 2.12 5.66 -94.44 3 2 2 21 198.354 5 ↓
Mid Mid (pH 6-8) 2.12 4.99 -37.12 2 2 1 20 197.346 5 ↓

Analogs

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Popular Name: N-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-N-propyl-cyclopropanamine 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) 2.45 6.68 -95.85 3 2 2 21 212.381 6 ↓
Mid Mid (pH 6-8) 2.45 5.18 -37.59 2 2 1 20 211.373 6 ↓

Analogs

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Popular Name: N-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-N-propyl-cyclopropanamine 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) 2.45 7.13 -96.21 3 2 2 21 212.381 6 ↓
Mid Mid (pH 6-8) 2.45 5.21 -36.62 2 2 1 20 211.373 6 ↓

Analogs

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Popular Name: N-propyl-N-[[(3S)-3-propylpyrrolidin-3-yl]methyl]cyclopropanamine N-propyl-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) 3.01 6.94 -98.16 3 2 2 21 226.408 7 ↓
Hi High (pH 8-9.5) 3.01 6.39 -29.54 2 2 1 16 225.4 7 ↓
Mid Mid (pH 6-8) 3.01 5.97 -36.05 2 2 1 20 225.4 7 ↓

Analogs

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Popular Name: N-propyl-N-[[(3R)-3-propylpyrrolidin-3-yl]methyl]cyclopropanamine N-propyl-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) 3.01 7.83 -98.01 3 2 2 21 226.408 7 ↓
Hi High (pH 8-9.5) 3.01 5.36 -32.33 2 2 1 16 225.4 7 ↓
Mid Mid (pH 6-8) 3.01 6.29 -38.86 2 2 1 20 225.4 7 ↓

Analogs

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Popular Name: N-[[(3S)-3-methylpyrrolidin-3-yl]methyl]cyclopropanamine 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) 1.00 3.68 -95.56 4 2 2 33 156.273 3 ↓
Hi High (pH 8-9.5) 1.00 2.19 -34.01 3 2 1 29 155.265 3 ↓
Hi High (pH 8-9.5) 1.00 2.58 -37.31 3 2 1 29 155.265 3 ↓

Analogs

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Popular Name: N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]cyclopropanamine 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) 1.00 3.73 -96.69 4 2 2 33 156.273 3 ↓
Hi High (pH 8-9.5) 1.00 2.27 -34.52 3 2 1 29 155.265 3 ↓
Hi High (pH 8-9.5) 1.00 2.5 -36.31 3 2 1 29 155.265 3 ↓

Analogs

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Popular Name: N-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]cyclopropanamine 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) 1.33 4.24 -97.79 4 2 2 33 170.3 4 ↓
Hi High (pH 8-9.5) 1.33 3.16 -38.09 3 2 1 29 169.292 4 ↓
Hi High (pH 8-9.5) 1.33 2.8 -33.36 3 2 1 29 169.292 4 ↓

Analogs

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Popular Name: N-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]cyclopropanamine 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) 1.33 4.1 -98.41 4 2 2 33 170.3 4 ↓
Hi High (pH 8-9.5) 1.33 2.65 -35.16 3 2 1 29 169.292 4 ↓
Hi High (pH 8-9.5) 1.33 2.97 -36.58 3 2 1 29 169.292 4 ↓

Analogs

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Popular Name: N-[[(3S)-3-propylpyrrolidin-3-yl]methyl]cyclopropanamine 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) 1.89 4.99 -99.89 4 2 2 33 184.327 5 ↓
Hi High (pH 8-9.5) 1.89 3.56 -34.08 3 2 1 29 183.319 5 ↓
Hi High (pH 8-9.5) 1.89 3.93 -38.59 3 2 1 29 183.319 5 ↓

Analogs

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Popular Name: N-[[(3R)-3-propylpyrrolidin-3-yl]methyl]cyclopropanamine 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) 1.89 4.83 -100.34 4 2 2 33 184.327 5 ↓
Hi High (pH 8-9.5) 1.89 3.38 -35.5 3 2 1 29 183.319 5 ↓
Hi High (pH 8-9.5) 1.89 3.74 -37.08 3 2 1 29 183.319 5 ↓

Analogs

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Popular Name: N-butyl-N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]cyclopropanamine N-butyl-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) 2.68 7.1 -95.51 3 2 2 21 212.381 6 ↓
Mid Mid (pH 6-8) 2.68 5.6 -37.2 2 2 1 20 211.373 6 ↓

Analogs

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Popular Name: N-butyl-N-[[(3S)-3-methylpyrrolidin-3-yl]methyl]cyclopropanamine N-butyl-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) 2.68 7.31 -94.72 3 2 2 21 212.381 6 ↓
Mid Mid (pH 6-8) 2.68 5.15 -36.72 2 2 1 20 211.373 6 ↓

Analogs

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Popular Name: N-butyl-N-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]cyclopropanamine N-butyl-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) 3.01 7.46 -97.01 3 2 2 21 226.408 7 ↓
Mid Mid (pH 6-8) 3.01 5.97 -37.54 2 2 1 20 225.4 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-N-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]cyclopropanamine N-butyl-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) 3.01 7 -97.5 3 2 2 21 226.408 7 ↓
Mid Mid (pH 6-8) 3.01 5.98 -35.22 2 2 1 20 225.4 7 ↓

Analogs

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Popular Name: N-butyl-N-[[(3R)-3-propylpyrrolidin-3-yl]methyl]cyclopropanamine N-butyl-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) 3.57 8.2 -98.93 3 2 2 21 240.435 8 ↓
Mid Mid (pH 6-8) 3.57 6.71 -38.46 2 2 1 20 239.427 8 ↓

Analogs

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Popular Name: N-butyl-N-[[(3S)-3-propylpyrrolidin-3-yl]methyl]cyclopropanamine N-butyl-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) 3.57 7.76 -99.33 3 2 2 21 240.435 8 ↓
Mid Mid (pH 6-8) 3.57 6.75 -36.07 2 2 1 20 239.427 8 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-N-[[(3S)-3-methylpyrrolidin-3-yl]methyl]cyclopropanamine N-(2-methoxyethyl)-N-[[(3S)-3-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) 1.22 3.37 -37.22 2 3 1 29 213.345 6 ↓
Mid Mid (pH 6-8) 1.22 4.09 -93.6 3 3 2 30 214.353 6 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]cyclopropanamine N-(2-methoxyethyl)-N-[[(3R)-3-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) 1.22 3.52 -39.83 2 3 1 29 213.345 6 ↓
Mid Mid (pH 6-8) 1.22 4.28 -97.76 3 3 2 30 214.353 6 ↓

Analogs

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Popular Name: N-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine 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) 1.56 3.79 -38.53 2 3 1 29 227.372 7 ↓
Mid Mid (pH 6-8) 1.56 5.52 -98.5 3 3 2 30 228.38 7 ↓

Analogs

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Popular Name: N-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine 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) 1.56 3.75 -39.73 2 3 1 29 227.372 7 ↓
Mid Mid (pH 6-8) 1.56 5.28 -96.27 3 3 2 30 228.38 7 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-N-[[(3S)-3-propylpyrrolidin-3-yl]methyl]cyclopropanamine N-(2-methoxyethyl)-N-[[(3S)-3-pr…

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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) 2.12 4.53 -34.79 2 3 1 29 241.399 8 ↓
Mid Mid (pH 6-8) 2.12 6.04 -98.71 3 3 2 30 242.407 8 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-N-[[(3R)-3-propylpyrrolidin-3-yl]methyl]cyclopropanamine N-(2-methoxyethyl)-N-[[(3R)-3-pr…

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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) 2.12 4.62 -39.88 2 3 1 29 241.399 8 ↓
Mid Mid (pH 6-8) 2.12 6.19 -98.04 3 3 2 30 242.407 8 ↓

Analogs

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Popular Name: N-isobutyl-N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]cyclopropanamine N-isobutyl-N-[[(3R)-3-methylpyrr…

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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 7.39 -95.04 3 2 2 21 212.381 5 ↓
Mid Mid (pH 6-8) 2.36 6.15 -37.59 2 2 1 20 211.373 5 ↓

Analogs

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Popular Name: N-isobutyl-N-[[(3S)-3-methylpyrrolidin-3-yl]methyl]cyclopropanamine N-isobutyl-N-[[(3S)-3-methylpyrr…

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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 7.24 -94.18 3 2 2 21 212.381 5 ↓
Mid Mid (pH 6-8) 2.36 5.78 -35.9 2 2 1 20 211.373 5 ↓

Analogs

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Popular Name: N-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-N-isobutyl-cyclopropanamine 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) 2.70 7.45 -96.77 3 2 2 21 226.408 6 ↓
Hi High (pH 8-9.5) 2.70 5.97 -28.63 2 2 1 16 225.4 6 ↓
Mid Mid (pH 6-8) 2.70 6.46 -36.77 2 2 1 20 225.4 6 ↓

Analogs

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Popular Name: N-[[(3R)-3-ethylpyrrolidin-3-yl]methyl]-N-isobutyl-cyclopropanamine 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) 2.70 7.32 -96.38 3 2 2 21 226.408 6 ↓
Hi High (pH 8-9.5) 2.70 6.1 -30.08 2 2 1 16 225.4 6 ↓
Mid Mid (pH 6-8) 2.70 6.41 -37.32 2 2 1 20 225.4 6 ↓

Analogs

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Popular Name: N-isobutyl-N-[[(3S)-3-propylpyrrolidin-3-yl]methyl]cyclopropanamine N-isobutyl-N-[[(3S)-3-propylpyrr…

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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) 3.26 7.59 -98.52 3 2 2 21 240.435 7 ↓
Mid Mid (pH 6-8) 3.26 7.14 -37.52 2 2 1 20 239.427 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-N-[[(3R)-3-propylpyrrolidin-3-yl]methyl]cyclopropanamine N-isobutyl-N-[[(3R)-3-propylpyrr…

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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) 3.26 8.41 -98.66 3 2 2 21 240.435 7 ↓
Mid Mid (pH 6-8) 3.26 6.58 -38.76 2 2 1 20 239.427 7 ↓

Analogs

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Popular Name: N-[[(3S)-3-methylpyrrolidin-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine 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) 2.17 4.32 -40.2 2 2 1 20 237.289 5 ↓

Analogs

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Popular Name: N-[[(3R)-3-methylpyrrolidin-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine 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) 2.17 4.78 -42.92 2 2 1 20 237.289 5 ↓

Analogs

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Popular Name: N-[[(3S)-3-ethylpyrrolidin-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine 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) 2.50 5.15 -40.03 2 2 1 20 251.316 6 ↓

Parameters Provided:

ring.id = 38701
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 = 38701 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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