UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[[(2R)-1-pentylpyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2R)-1-pentylpyrrolidin-2-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) 2.83 8.6 -109.25 3 2 2 21 212.381 7 ↓
Hi High (pH 8-9.5) 2.83 7.4 -28.41 2 2 1 16 211.373 7 ↓
Mid Mid (pH 6-8) 2.83 6.79 -31.84 2 2 1 20 211.373 7 ↓

Analogs

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Popular Name: N-[[(2S)-1-pentylpyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2S)-1-pentylpyrrolidin-2-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) 2.83 7.94 -105.76 3 2 2 21 212.381 7 ↓
Hi High (pH 8-9.5) 2.83 6.69 -32.26 2 2 1 16 211.373 7 ↓
Mid Mid (pH 6-8) 2.83 5.61 -35.63 2 2 1 20 211.373 7 ↓

Analogs

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Popular Name: N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2R)-1-(2-methoxyethyl)pyrro…

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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) 0.87 3.56 -29.28 2 3 1 29 199.318 6 ↓
Mid Mid (pH 6-8) 0.87 5.44 -101.25 3 3 2 30 200.326 6 ↓

Analogs

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Popular Name: N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2S)-1-(2-methoxyethyl)pyrro…

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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) 0.87 3.85 -34.19 2 3 1 29 199.318 6 ↓
Mid Mid (pH 6-8) 0.87 5.72 -107.28 3 3 2 30 200.326 6 ↓

Analogs

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Popular Name: N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2R)-1-ethylpyrrolidin-2-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) 1.26 6.28 -104.75 3 2 2 21 170.3 4 ↓
Hi High (pH 8-9.5) 1.26 5.08 -26.9 2 2 1 16 169.292 4 ↓
Mid Mid (pH 6-8) 1.26 4.5 -31.29 2 2 1 20 169.292 4 ↓

Analogs

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Popular Name: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2S)-1-ethylpyrrolidin-2-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) 1.26 6.3 -104.48 3 2 2 21 170.3 4 ↓
Hi High (pH 8-9.5) 1.26 5.03 -28.59 2 2 1 16 169.292 4 ↓
Mid Mid (pH 6-8) 1.26 4.5 -31.16 2 2 1 20 169.292 4 ↓

Analogs

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Popular Name: N-[[(2R)-1-butylpyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2R)-1-butylpyrrolidin-2-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) 2.32 7.82 -108.29 3 2 2 21 198.354 6 ↓
Hi High (pH 8-9.5) 2.32 6.62 -27.91 2 2 1 16 197.346 6 ↓
Mid Mid (pH 6-8) 2.32 6.02 -31.85 2 2 1 20 197.346 6 ↓

Analogs

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Popular Name: N-[[(2S)-1-butylpyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2S)-1-butylpyrrolidin-2-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) 2.32 7.83 -107.98 3 2 2 21 198.354 6 ↓
Hi High (pH 8-9.5) 2.32 6.56 -29.73 2 2 1 16 197.346 6 ↓
Mid Mid (pH 6-8) 2.32 6.02 -31.78 2 2 1 20 197.346 6 ↓

Analogs

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Popular Name: N-[[(2R)-1-isopentylpyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2R)-1-isopentylpyrrolidin-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) 2.54 8.32 -109.91 3 2 2 21 212.381 6 ↓
Hi High (pH 8-9.5) 2.54 7.12 -28.4 2 2 1 16 211.373 6 ↓
Mid Mid (pH 6-8) 2.54 6.52 -32.26 2 2 1 20 211.373 6 ↓

Analogs

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Popular Name: N-[[(2S)-1-isopentylpyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2S)-1-isopentylpyrrolidin-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) 2.54 8.33 -109.3 3 2 2 21 212.381 6 ↓
Hi High (pH 8-9.5) 2.54 7.06 -30.15 2 2 1 16 211.373 6 ↓
Mid Mid (pH 6-8) 2.54 6.53 -32.03 2 2 1 20 211.373 6 ↓

Analogs

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Popular Name: N-[[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2R)-1-(2,2,2-trifluoroethyl…

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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 4.14 -40.74 2 2 1 20 223.262 5 ↓

Analogs

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Popular Name: N-[[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2S)-1-(2,2,2-trifluoroethyl…

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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 4.74 -36.78 2 2 1 20 223.262 5 ↓

Analogs

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Popular Name: Cyclopropyl-(1-methyl-pyrrolidin-2-ylmethyl)-amine Cyclopropyl-(1-methyl-pyrrolidin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.88 5.61 -105.01 3 2 2 21 156.273 3 ↓
Mid Mid (pH 6-8) 0.88 3.64 -31.04 2 2 1 20 155.265 3 ↓

Analogs

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Popular Name: Cyclopropyl-(1-methyl-pyrrolidin-2-ylmethyl)-amine Cyclopropyl-(1-methyl-pyrrolidin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.88 5.86 -104.95 3 2 2 21 156.273 3 ↓
Mid Mid (pH 6-8) 0.88 3.61 -31.28 2 2 1 20 155.265 3 ↓

Analogs

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Popular Name: N-[[(2R)-1-isobutylpyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2R)-1-isobutylpyrrolidin-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) 2.00 6.73 -104.91 3 2 2 21 198.354 5 ↓
Hi High (pH 8-9.5) 2.00 6.95 -27.65 2 2 1 16 197.346 5 ↓
Mid Mid (pH 6-8) 2.00 4.99 -35.47 2 2 1 20 197.346 5 ↓

Analogs

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Popular Name: N-[[(2S)-1-isobutylpyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2S)-1-isobutylpyrrolidin-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) 2.00 7.74 -105.77 3 2 2 21 198.354 5 ↓
Hi High (pH 8-9.5) 2.00 6.47 -28.68 2 2 1 16 197.346 5 ↓
Mid Mid (pH 6-8) 2.00 6.2 -31.63 2 2 1 20 197.346 5 ↓

Analogs

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Popular Name: N-[[(2R)-1-propylpyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2R)-1-propylpyrrolidin-2-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) 1.76 7.04 -106.74 3 2 2 21 184.327 5 ↓
Hi High (pH 8-9.5) 1.76 5.83 -27.44 2 2 1 16 183.319 5 ↓
Mid Mid (pH 6-8) 1.76 5.23 -31.46 2 2 1 20 183.319 5 ↓

Analogs

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Popular Name: N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2S)-1-propylpyrrolidin-2-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) 1.76 6.38 -103.4 3 2 2 21 184.327 5 ↓
Hi High (pH 8-9.5) 1.76 5.13 -31.23 2 2 1 16 183.319 5 ↓
Mid Mid (pH 6-8) 1.76 4.05 -35.39 2 2 1 20 183.319 5 ↓

Analogs

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Popular Name: N-[[(2R)-1-isopropylpyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2R)-1-isopropylpyrrolidin-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) 1.56 7.14 -101.33 3 2 2 21 184.327 4 ↓
Hi High (pH 8-9.5) 1.56 6.07 -25.8 2 2 1 16 183.319 4 ↓
Mid Mid (pH 6-8) 1.56 4.72 -31.48 2 2 1 20 183.319 4 ↓

Analogs

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Popular Name: N-[[(2S)-1-isopropylpyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2S)-1-isopropylpyrrolidin-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) 1.56 7.17 -100.83 3 2 2 21 184.327 4 ↓
Hi High (pH 8-9.5) 1.56 6.15 -27.57 2 2 1 16 183.319 4 ↓
Mid Mid (pH 6-8) 1.56 5.39 -30.34 2 2 1 20 183.319 4 ↓

Analogs

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

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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) 0.91 5.76 -91.54 3 3 2 24 213.369 6 ↓
Hi High (pH 8-9.5) 0.91 3.29 -31.7 2 3 1 23 212.361 6 ↓

Analogs

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

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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) 0.91 5.79 -91.64 3 3 2 24 213.369 6 ↓
Hi High (pH 8-9.5) 0.91 3.31 -33.01 2 3 1 23 212.361 6 ↓

Analogs

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Popular Name: N-[[(2R)-1-hexylpyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2R)-1-hexylpyrrolidin-2-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) 3.33 9.38 -109.64 3 2 2 21 226.408 8 ↓
Hi High (pH 8-9.5) 3.33 8.18 -28.59 2 2 1 16 225.4 8 ↓
Mid Mid (pH 6-8) 3.33 7.57 -31.88 2 2 1 20 225.4 8 ↓

Analogs

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Popular Name: N-[[(2S)-1-hexylpyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2S)-1-hexylpyrrolidin-2-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) 3.33 9.4 -109.2 3 2 2 21 226.408 8 ↓
Hi High (pH 8-9.5) 3.33 8.1 -30.35 2 2 1 16 225.4 8 ↓
Mid Mid (pH 6-8) 3.33 7.59 -32.18 2 2 1 20 225.4 8 ↓

Analogs

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Popular Name: N-[[(2R)-1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2R)-1-(2-ethoxyethyl)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) 1.24 3.68 -37.14 2 3 1 29 213.345 7 ↓
Mid Mid (pH 6-8) 1.24 6.02 -104.43 3 3 2 30 214.353 7 ↓

Analogs

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Popular Name: N-[[(2S)-1-(2-ethoxyethyl)pyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2S)-1-(2-ethoxyethyl)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) 1.24 3.34 -37.1 2 3 1 29 213.345 7 ↓
Mid Mid (pH 6-8) 1.24 5.73 -103.03 3 3 2 30 214.353 7 ↓

Analogs

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Popular Name: N-[[(2R)-1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2R)-1-(3-methoxypropyl)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) 1.14 6.11 -110.69 3 3 2 30 214.353 7 ↓
Mid Mid (pH 6-8) 1.14 4.31 -34.06 2 3 1 29 213.345 7 ↓

Analogs

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Popular Name: N-[[(2S)-1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2S)-1-(3-methoxypropyl)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) 1.14 6.12 -110.52 3 3 2 30 214.353 7 ↓
Mid Mid (pH 6-8) 1.14 4.31 -34.05 2 3 1 29 213.345 7 ↓

Analogs

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Popular Name: N-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2R)-1-(2,2-difluoroethyl)py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.45 4 -39.79 2 2 1 20 205.272 5 ↓

Analogs

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Popular Name: N-[[(2S)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2S)-1-(2,2-difluoroethyl)py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.45 4.61 -36.43 2 2 1 20 205.272 5 ↓

Analogs

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Popular Name: N-[[(2R)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2R)-1-(3,3-dimethylbutyl)py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 8.7 -111.29 3 2 2 21 226.408 6 ↓
Hi High (pH 8-9.5) 2.86 7.5 -28.93 2 2 1 16 225.4 6 ↓
Mid Mid (pH 6-8) 2.86 6.89 -32.36 2 2 1 20 225.4 6 ↓

Analogs

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Popular Name: N-[[(2S)-1-(3,3-dimethylbutyl)pyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2S)-1-(3,3-dimethylbutyl)py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 8.74 -110.86 3 2 2 21 226.408 6 ↓
Hi High (pH 8-9.5) 2.86 7.43 -30.6 2 2 1 16 225.4 6 ↓
Mid Mid (pH 6-8) 2.86 6.93 -32.68 2 2 1 20 225.4 6 ↓

Analogs

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Popular Name: N-[[(2R)-1-(2-isopropoxyethyl)pyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2R)-1-(2-isopropoxyethyl)py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.61 4.42 -36.89 2 3 1 29 227.372 7 ↓
Mid Mid (pH 6-8) 1.61 6.77 -104.83 3 3 2 30 228.38 7 ↓

Analogs

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Popular Name: N-[[(2S)-1-(2-isopropoxyethyl)pyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2S)-1-(2-isopropoxyethyl)py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.61 4.1 -36.88 2 3 1 29 227.372 7 ↓
Mid Mid (pH 6-8) 1.61 6.48 -103.41 3 3 2 30 228.38 7 ↓

Analogs

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Popular Name: N-[[(2R)-1-(2-butoxyethyl)pyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2R)-1-(2-butoxyethyl)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) 2.31 5.26 -37.04 2 3 1 29 241.399 9 ↓
Mid Mid (pH 6-8) 2.31 7.6 -105.2 3 3 2 30 242.407 9 ↓

Analogs

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Popular Name: N-[[(2S)-1-(2-butoxyethyl)pyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2S)-1-(2-butoxyethyl)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) 2.31 4.93 -37.05 2 3 1 29 241.399 9 ↓
Mid Mid (pH 6-8) 2.31 7.32 -103.78 3 3 2 30 242.407 9 ↓

Analogs

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

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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) 2.52 5.77 -36.93 2 3 1 29 255.426 9 ↓
Mid Mid (pH 6-8) 2.52 8.11 -105.44 3 3 2 30 256.434 9 ↓

Analogs

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

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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) 2.52 5.44 -36.89 2 3 1 29 255.426 9 ↓
Mid Mid (pH 6-8) 2.52 7.83 -104.14 3 3 2 30 256.434 9 ↓

Analogs

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Popular Name: N-[[(2R)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2R)-1-[2-(2,2,2-trifluoroet…

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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) 1.79 4.13 -40.26 2 3 1 29 267.315 8 ↓
Mid Mid (pH 6-8) 1.79 6.47 -110.96 3 3 2 30 268.323 8 ↓

Analogs

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Popular Name: N-[[(2S)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2S)-1-[2-(2,2,2-trifluoroet…

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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) 1.79 3.81 -39.76 2 3 1 29 267.315 8 ↓
Mid Mid (pH 6-8) 1.79 6.21 -108.87 3 3 2 30 268.323 8 ↓

Analogs

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

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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 7.31 -113.09 3 3 2 30 282.35 9 ↓
Mid Mid (pH 6-8) 2.06 5.05 -40.66 2 3 1 29 281.342 9 ↓

Analogs

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

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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 7.73 -116.84 3 3 2 30 282.35 9 ↓
Mid Mid (pH 6-8) 2.06 5.63 -38.66 2 3 1 29 281.342 9 ↓

Analogs

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Popular Name: N-[[(2R)-1-[(2R)-2-ethylhexyl]pyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2R)-1-[(2R)-2-ethylhexyl]py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.08 10.53 -111.72 3 2 2 21 254.462 9 ↓
Hi High (pH 8-9.5) 4.08 9.31 -28.54 2 2 1 16 253.454 9 ↓
Mid Mid (pH 6-8) 4.08 9.19 -33.01 2 2 1 20 253.454 9 ↓

Analogs

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Popular Name: N-[[(2R)-1-[(2S)-2-ethylhexyl]pyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2R)-1-[(2S)-2-ethylhexyl]py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.08 10.55 -111.53 3 2 2 21 254.462 9 ↓
Hi High (pH 8-9.5) 4.08 9.33 -28.86 2 2 1 16 253.454 9 ↓
Mid Mid (pH 6-8) 4.08 9.08 -32.6 2 2 1 20 253.454 9 ↓

Analogs

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Popular Name: N-[[(2R)-1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2R)-1-(2-methylsulfonylethy…

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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) 0.28 2.02 -43.33 2 4 1 54 247.384 6 ↓
Lo Low (pH 4.5-6) 0.28 3.82 -124.82 3 4 2 55 248.392 6 ↓

Analogs

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Popular Name: N-[[(2S)-1-(2-methylsulfonylethyl)pyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2S)-1-(2-methylsulfonylethy…

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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) 0.28 2.02 -42.97 2 4 1 54 247.384 6 ↓
Lo Low (pH 4.5-6) 0.28 3.83 -124.26 3 4 2 55 248.392 6 ↓

Analogs

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Popular Name: N-[[(2R)-1-[(2R)-2-methylbutyl]pyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2R)-1-[(2R)-2-methylbutyl]p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.51 8.37 -108.21 3 2 2 21 212.381 6 ↓
Hi High (pH 8-9.5) 2.51 7.17 -27.72 2 2 1 16 211.373 6 ↓
Mid Mid (pH 6-8) 2.51 6.95 -32.19 2 2 1 20 211.373 6 ↓

Analogs

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Popular Name: N-[[(2R)-1-[(2S)-2-methylbutyl]pyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2R)-1-[(2S)-2-methylbutyl]p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.51 8.38 -107.65 3 2 2 21 212.381 6 ↓
Hi High (pH 8-9.5) 2.51 7.17 -27.65 2 2 1 16 211.373 6 ↓
Mid Mid (pH 6-8) 2.51 6.85 -32.05 2 2 1 20 211.373 6 ↓

Analogs

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

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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) 3.07 8.47 -106.31 3 2 2 21 226.408 7 ↓
Hi High (pH 8-9.5) 3.07 7.18 -31.12 2 2 1 16 225.4 7 ↓
Mid Mid (pH 6-8) 3.07 6.4 -35.68 2 2 1 20 225.4 7 ↓

Analogs

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Popular Name: N-[[(2R)-1-[(2S)-2-methylpentyl]pyrrolidin-2-yl]methyl]cyclopropanamine N-[[(2R)-1-[(2S)-2-methylpentyl]…

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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) 3.07 9.14 -108.38 3 2 2 21 226.408 7 ↓
Hi High (pH 8-9.5) 3.07 7.92 -28.04 2 2 1 16 225.4 7 ↓
Mid Mid (pH 6-8) 3.07 7.6 -32.15 2 2 1 20 225.4 7 ↓

Parameters Provided:

ring.id = 104620
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 104620 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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