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Popular Name: 2-pyrrolidin-1-yl-N-(2-thienylmethyl)ethanamine 2-pyrrolidin-1-yl-N-(2-thienylme…

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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 5.34 -34.67 2 2 1 16 211.354 5 ↓
Hi High (pH 8-9.5) 1.83 2.82 -2.78 1 2 0 15 210.346 5 ↓
Lo Low (pH 4.5-6) 1.83 6.75 -115.82 3 2 2 21 212.362 5 ↓

Analogs

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Popular Name: N-[(3-methyl-2-thienyl)methyl]-2-pyrrolidin-1-yl-ethanamine N-[(3-methyl-2-thienyl)methyl]-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) 2.21 5.95 -35.17 2 2 1 16 225.381 5 ↓
Hi High (pH 8-9.5) 2.21 3.42 -3.03 1 2 0 15 224.373 5 ↓
Lo Low (pH 4.5-6) 2.21 7.37 -116.99 3 2 2 21 226.389 5 ↓

Analogs

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Popular Name: (1R)-N-(2-pyrrolidin-1-ylethyl)-1-(2-thienyl)ethanamine (1R)-N-(2-pyrrolidin-1-ylethyl)-…

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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 6.03 -35.1 2 2 1 16 225.381 5 ↓
Hi High (pH 8-9.5) 2.39 3.51 -2.63 1 2 0 15 224.373 5 ↓
Lo Low (pH 4.5-6) 2.39 7.34 -113.62 3 2 2 21 226.389 5 ↓

Analogs

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Popular Name: (1S)-N-(2-pyrrolidin-1-ylethyl)-1-(2-thienyl)ethanamine (1S)-N-(2-pyrrolidin-1-ylethyl)-…

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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 6.02 -34.19 2 2 1 16 225.381 5 ↓
Hi High (pH 8-9.5) 2.39 3.5 -2.06 1 2 0 15 224.373 5 ↓
Lo Low (pH 4.5-6) 2.39 7.34 -113.71 3 2 2 21 226.389 5 ↓

Analogs

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Popular Name: N-[(5-bromo-2-thienyl)methyl]-2-pyrrolidin-1-yl-ethanamine N-[(5-bromo-2-thienyl)methyl]-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) 2.76 6.07 -36.34 2 2 1 16 290.25 5 ↓
Hi High (pH 8-9.5) 2.76 3.55 -2.71 1 2 0 15 289.242 5 ↓
Lo Low (pH 4.5-6) 2.76 7.48 -122.18 3 2 2 21 291.258 5 ↓

Analogs

41202838
41202838
41202841
41202841

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Popular Name: (1R)-1-(5-methyl-2-thienyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine (1R)-1-(5-methyl-2-thienyl)-N-(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) 2.61 6.86 -35.26 2 2 1 16 239.408 5 ↓
Hi High (pH 8-9.5) 2.61 4.34 -2.97 1 2 0 15 238.4 5 ↓
Lo Low (pH 4.5-6) 2.61 8.16 -113.94 3 2 2 21 240.416 5 ↓

Analogs

41202838
41202838
41202841
41202841

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Popular Name: (1S)-1-(5-methyl-2-thienyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine (1S)-1-(5-methyl-2-thienyl)-N-(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) 2.61 6.85 -34.27 2 2 1 16 239.408 5 ↓
Hi High (pH 8-9.5) 2.61 4.33 -2.31 1 2 0 15 238.4 5 ↓
Lo Low (pH 4.5-6) 2.61 8.17 -114.03 3 2 2 21 240.416 5 ↓

Analogs

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Popular Name: N-[(5-methyl-2-thienyl)methyl]-2-pyrrolidin-1-yl-ethanamine N-[(5-methyl-2-thienyl)methyl]-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) 2.05 6.17 -34.77 2 2 1 16 225.381 5 ↓
Hi High (pH 8-9.5) 2.05 3.65 -3.07 1 2 0 15 224.373 5 ↓
Lo Low (pH 4.5-6) 2.05 7.58 -115.97 3 2 2 21 226.389 5 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-pyrrolidin-1-yl-ethanamine N-[(5-chloro-2-thienyl)methyl]-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) 2.63 5.97 -36.3 2 2 1 16 245.799 5 ↓
Hi High (pH 8-9.5) 2.63 3.44 -2.7 1 2 0 15 244.791 5 ↓
Lo Low (pH 4.5-6) 2.63 7.38 -121.86 3 2 2 21 246.807 5 ↓

Analogs

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Popular Name: (1R)-N-(2-pyrrolidin-1-ylethyl)-1-(2-thienyl)propan-1-amine (1R)-N-(2-pyrrolidin-1-ylethyl)-…

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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) 2.89 6.7 -35.45 2 2 1 16 239.408 6 ↓
Hi High (pH 8-9.5) 2.89 4.16 -2.52 1 2 0 15 238.4 6 ↓
Mid Mid (pH 6-8) 2.89 5.44 -37.61 2 2 1 20 239.408 6 ↓

Analogs

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Popular Name: (1S)-N-(2-pyrrolidin-1-ylethyl)-1-(2-thienyl)propan-1-amine (1S)-N-(2-pyrrolidin-1-ylethyl)-…

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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) 2.89 6.66 -34.42 2 2 1 16 239.408 6 ↓
Hi High (pH 8-9.5) 2.89 4.14 -1.94 1 2 0 15 238.4 6 ↓
Mid Mid (pH 6-8) 2.89 5.42 -37.23 2 2 1 20 239.408 6 ↓

Analogs

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Popular Name: 2-[(2R)-2-ethylpyrrolidin-1-yl]-N-(2-thienylmethyl)ethanamine 2-[(2R)-2-ethylpyrrolidin-1-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) 2.69 6.88 -31.69 2 2 1 16 239.408 6 ↓
Hi High (pH 8-9.5) 2.69 4.98 -1.82 1 2 0 15 238.4 6 ↓
Lo Low (pH 4.5-6) 2.69 8.23 -113.68 3 2 2 21 240.416 6 ↓

Analogs

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Popular Name: 2-[(2S)-2-ethylpyrrolidin-1-yl]-N-(2-thienylmethyl)ethanamine 2-[(2S)-2-ethylpyrrolidin-1-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) 2.69 6.39 -33.03 2 2 1 16 239.408 6 ↓
Hi High (pH 8-9.5) 2.69 4.07 -1.93 1 2 0 15 238.4 6 ↓
Lo Low (pH 4.5-6) 2.69 7.73 -115.58 3 2 2 21 240.416 6 ↓

Analogs

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Popular Name: 2-[(2R)-2-ethylpyrrolidin-1-yl]-N-[(3-methyl-2-thienyl)methyl]ethanamine 2-[(2R)-2-ethylpyrrolidin-1-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) 3.07 7.44 -32.02 2 2 1 16 253.435 6 ↓
Hi High (pH 8-9.5) 3.07 5.54 -1.79 1 2 0 15 252.427 6 ↓
Lo Low (pH 4.5-6) 3.07 8.81 -114.92 3 2 2 21 254.443 6 ↓

Analogs

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Popular Name: 2-[(2S)-2-ethylpyrrolidin-1-yl]-N-[(3-methyl-2-thienyl)methyl]ethanamine 2-[(2S)-2-ethylpyrrolidin-1-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) 3.07 7.46 -32.09 2 2 1 16 253.435 6 ↓
Hi High (pH 8-9.5) 3.07 5.55 -1.86 1 2 0 15 252.427 6 ↓
Lo Low (pH 4.5-6) 3.07 8.83 -115.59 3 2 2 21 254.443 6 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-[(2R)-2-ethylpyrrolidin-1-yl]ethanamine N-[(5-chloro-2-thienyl)methyl]-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) 3.50 7.51 -33.22 2 2 1 16 273.853 6 ↓
Hi High (pH 8-9.5) 3.50 5.6 -1.42 1 2 0 15 272.845 6 ↓
Lo Low (pH 4.5-6) 3.50 8.86 -119.85 3 2 2 21 274.861 6 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-[(2S)-2-ethylpyrrolidin-1-yl]ethanamine N-[(5-chloro-2-thienyl)methyl]-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) 3.50 7.02 -34.55 2 2 1 16 273.853 6 ↓
Hi High (pH 8-9.5) 3.50 4.69 -1.52 1 2 0 15 272.845 6 ↓
Lo Low (pH 4.5-6) 3.50 8.36 -121.74 3 2 2 21 274.861 6 ↓

Analogs

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Popular Name: 2-[(2R)-2-ethylpyrrolidin-1-yl]-N-[(5-methyl-2-thienyl)methyl]ethanamine 2-[(2R)-2-ethylpyrrolidin-1-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 7.71 -31.8 2 2 1 16 253.435 6 ↓
Hi High (pH 8-9.5) 2.92 5.81 -2 1 2 0 15 252.427 6 ↓
Lo Low (pH 4.5-6) 2.92 9.06 -113.84 3 2 2 21 254.443 6 ↓

Analogs

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Popular Name: 2-[(2S)-2-ethylpyrrolidin-1-yl]-N-[(5-methyl-2-thienyl)methyl]ethanamine 2-[(2S)-2-ethylpyrrolidin-1-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 7.23 -33.08 2 2 1 16 253.435 6 ↓
Hi High (pH 8-9.5) 2.92 4.9 -2.11 1 2 0 15 252.427 6 ↓
Lo Low (pH 4.5-6) 2.92 8.57 -115.69 3 2 2 21 254.443 6 ↓

Analogs

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Popular Name: N-[(4-bromo-2-thienyl)methyl]-2-[(2R)-2-ethylpyrrolidin-1-yl]ethanamine N-[(4-bromo-2-thienyl)methyl]-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) 3.43 7.49 -32.94 2 2 1 16 318.304 6 ↓
Hi High (pH 8-9.5) 3.43 5.59 -1.74 1 2 0 15 317.296 6 ↓
Lo Low (pH 4.5-6) 3.43 8.84 -118.08 3 2 2 21 319.312 6 ↓

Analogs

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Popular Name: N-[(4-bromo-2-thienyl)methyl]-2-[(2S)-2-ethylpyrrolidin-1-yl]ethanamine N-[(4-bromo-2-thienyl)methyl]-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) 3.43 7.01 -34.21 2 2 1 16 318.304 6 ↓
Hi High (pH 8-9.5) 3.43 4.68 -1.87 1 2 0 15 317.296 6 ↓
Lo Low (pH 4.5-6) 3.43 8.35 -119.94 3 2 2 21 319.312 6 ↓

Analogs

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Popular Name: 2-[(2R)-2-ethylpyrrolidin-1-yl]-N-[(1S)-1-(2-thienyl)ethyl]ethanamine 2-[(2R)-2-ethylpyrrolidin-1-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) 3.25 7.58 -32.57 2 2 1 16 253.435 6 ↓
Hi High (pH 8-9.5) 3.25 5.68 -2.06 1 2 0 15 252.427 6 ↓
Mid Mid (pH 6-8) 3.25 8.76 -111.18 3 2 2 21 254.443 6 ↓

Analogs

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Popular Name: 2-[(2S)-2-ethylpyrrolidin-1-yl]-N-[(1S)-1-(2-thienyl)ethyl]ethanamine 2-[(2S)-2-ethylpyrrolidin-1-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) 3.25 7.59 -32.62 2 2 1 16 253.435 6 ↓
Hi High (pH 8-9.5) 3.25 5.69 -1.92 1 2 0 15 252.427 6 ↓
Mid Mid (pH 6-8) 3.25 8.77 -111.76 3 2 2 21 254.443 6 ↓

Analogs

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Popular Name: 2-[(2R)-2-methylpyrrolidin-1-yl]-N-(2-thienylmethyl)ethanamine 2-[(2R)-2-methylpyrrolidin-1-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) 2.16 6.12 -31.91 2 2 1 16 225.381 5 ↓
Hi High (pH 8-9.5) 2.16 3.87 -2.05 1 2 0 15 224.373 5 ↓
Lo Low (pH 4.5-6) 2.16 7.47 -113.17 3 2 2 21 226.389 5 ↓

Analogs

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Popular Name: 2-[(2S)-2-methylpyrrolidin-1-yl]-N-(2-thienylmethyl)ethanamine 2-[(2S)-2-methylpyrrolidin-1-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) 2.16 5.76 -32.49 2 2 1 16 225.381 5 ↓
Hi High (pH 8-9.5) 2.16 3.46 -1.97 1 2 0 15 224.373 5 ↓
Lo Low (pH 4.5-6) 2.16 7.11 -113.29 3 2 2 21 226.389 5 ↓

Analogs

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Popular Name: 2-[(2S)-2-methylpyrrolidin-1-yl]-N-[(3-methyl-2-thienyl)methyl]ethanamine 2-[(2S)-2-methylpyrrolidin-1-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) 2.54 6.69 -32.91 2 2 1 16 239.408 5 ↓
Hi High (pH 8-9.5) 2.54 4.45 -2.53 1 2 0 15 238.4 5 ↓
Lo Low (pH 4.5-6) 2.54 8.05 -114.6 3 2 2 21 240.416 5 ↓

Analogs

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Popular Name: 2-[(2R)-2-methylpyrrolidin-1-yl]-N-[(3-methyl-2-thienyl)methyl]ethanamine 2-[(2R)-2-methylpyrrolidin-1-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) 2.54 6.6 -32.8 2 2 1 16 239.408 5 ↓
Hi High (pH 8-9.5) 2.54 4.5 -2.38 1 2 0 15 238.4 5 ↓
Lo Low (pH 4.5-6) 2.54 7.96 -114.66 3 2 2 21 240.416 5 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-[(2R)-2-methylpyrrolidin-1-yl]ethanamine N-[(5-chloro-2-thienyl)methyl]-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) 2.96 6.74 -33.43 2 2 1 16 259.826 5 ↓
Hi High (pH 8-9.5) 2.96 4.5 -1.63 1 2 0 15 258.818 5 ↓
Lo Low (pH 4.5-6) 2.96 8.09 -119.29 3 2 2 21 260.834 5 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-[(2S)-2-methylpyrrolidin-1-yl]ethanamine N-[(5-chloro-2-thienyl)methyl]-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) 2.96 6.67 -33.53 2 2 1 16 259.826 5 ↓
Hi High (pH 8-9.5) 2.96 4.56 -1.63 1 2 0 15 258.818 5 ↓
Lo Low (pH 4.5-6) 2.96 8.02 -119.54 3 2 2 21 260.834 5 ↓

Analogs

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Popular Name: 2-[(2S)-2-methylpyrrolidin-1-yl]-N-[(5-methyl-2-thienyl)methyl]ethanamine 2-[(2S)-2-methylpyrrolidin-1-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) 2.38 6.96 -32.46 2 2 1 16 239.408 5 ↓
Hi High (pH 8-9.5) 2.38 4.72 -2.61 1 2 0 15 238.4 5 ↓
Lo Low (pH 4.5-6) 2.38 8.31 -113.43 3 2 2 21 240.416 5 ↓

Analogs

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Popular Name: 2-[(2R)-2-methylpyrrolidin-1-yl]-N-[(5-methyl-2-thienyl)methyl]ethanamine 2-[(2R)-2-methylpyrrolidin-1-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) 2.38 6.87 -32.46 2 2 1 16 239.408 5 ↓
Hi High (pH 8-9.5) 2.38 4.77 -2.49 1 2 0 15 238.4 5 ↓
Lo Low (pH 4.5-6) 2.38 8.22 -113.55 3 2 2 21 240.416 5 ↓

Analogs

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Popular Name: N-[(4-bromo-2-thienyl)methyl]-2-[(2R)-2-methylpyrrolidin-1-yl]ethanamine N-[(4-bromo-2-thienyl)methyl]-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) 2.90 6.73 -33.17 2 2 1 16 304.277 5 ↓
Hi High (pH 8-9.5) 2.90 4.48 -1.98 1 2 0 15 303.269 5 ↓
Lo Low (pH 4.5-6) 2.90 8.08 -117.53 3 2 2 21 305.285 5 ↓

Analogs

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Popular Name: N-[(4-bromo-2-thienyl)methyl]-2-[(2S)-2-methylpyrrolidin-1-yl]ethanamine N-[(4-bromo-2-thienyl)methyl]-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) 2.90 6.66 -33.18 2 2 1 16 304.277 5 ↓
Hi High (pH 8-9.5) 2.90 4.54 -1.9 1 2 0 15 303.269 5 ↓
Lo Low (pH 4.5-6) 2.90 8.01 -117.72 3 2 2 21 305.285 5 ↓

Analogs

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Popular Name: 2-[(2R)-2-methylpyrrolidin-1-yl]-N-[(1S)-1-(2-thienyl)ethyl]ethanamine 2-[(2R)-2-methylpyrrolidin-1-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) 2.72 6.81 -32.89 2 2 1 16 239.408 5 ↓
Hi High (pH 8-9.5) 2.72 4.56 -2.3 1 2 0 15 238.4 5 ↓
Mid Mid (pH 6-8) 2.72 7.98 -110.79 3 2 2 21 240.416 5 ↓

Analogs

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Popular Name: 2-[(2S)-2-methylpyrrolidin-1-yl]-N-[(1S)-1-(2-thienyl)ethyl]ethanamine 2-[(2S)-2-methylpyrrolidin-1-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) 2.72 6.73 -32.83 2 2 1 16 239.408 5 ↓
Hi High (pH 8-9.5) 2.72 4.63 -2.14 1 2 0 15 238.4 5 ↓
Mid Mid (pH 6-8) 2.72 7.92 -110.99 3 2 2 21 240.416 5 ↓

Analogs

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Popular Name: 2-[(3R)-3-methylpyrrolidin-1-yl]-N-(2-thienylmethyl)ethanamine 2-[(3R)-3-methylpyrrolidin-1-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) 2.30 6.05 -34.04 2 2 1 16 225.381 5 ↓
Hi High (pH 8-9.5) 2.30 3.67 -2.01 1 2 0 15 224.373 5 ↓
Lo Low (pH 4.5-6) 2.30 7.39 -115.65 3 2 2 21 226.389 5 ↓

Analogs

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Popular Name: 2-[(3S)-3-methylpyrrolidin-1-yl]-N-(2-thienylmethyl)ethanamine 2-[(3S)-3-methylpyrrolidin-1-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) 2.30 6.1 -33.83 2 2 1 16 225.381 5 ↓
Hi High (pH 8-9.5) 2.30 3.64 -2.04 1 2 0 15 224.373 5 ↓
Lo Low (pH 4.5-6) 2.30 7.46 -115.54 3 2 2 21 226.389 5 ↓

Analogs

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Popular Name: 2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(3-methyl-2-thienyl)methyl]ethanamine 2-[(3S)-3-methylpyrrolidin-1-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) 2.68 6.66 -34.53 2 2 1 16 239.408 5 ↓
Hi High (pH 8-9.5) 2.68 4.14 -2.42 1 2 0 15 238.4 5 ↓
Lo Low (pH 4.5-6) 2.68 8.02 -116.64 3 2 2 21 240.416 5 ↓

Analogs

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Popular Name: 2-[(3R)-3-methylpyrrolidin-1-yl]-N-[(3-methyl-2-thienyl)methyl]ethanamine 2-[(3R)-3-methylpyrrolidin-1-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) 2.68 6.61 -34.84 2 2 1 16 239.408 5 ↓
Hi High (pH 8-9.5) 2.68 4.25 -2.37 1 2 0 15 238.4 5 ↓
Lo Low (pH 4.5-6) 2.68 7.98 -117.11 3 2 2 21 240.416 5 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-[(3R)-3-methylpyrrolidin-1-yl]ethanamine N-[(5-chloro-2-thienyl)methyl]-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) 3.10 6.71 -35.22 2 2 1 16 259.826 5 ↓
Hi High (pH 8-9.5) 3.10 4.24 -1.64 1 2 0 15 258.818 5 ↓
Lo Low (pH 4.5-6) 3.10 8.06 -121.64 3 2 2 21 260.834 5 ↓

Analogs

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Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-[(3S)-3-methylpyrrolidin-1-yl]ethanamine N-[(5-chloro-2-thienyl)methyl]-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) 3.10 6.73 -35.4 2 2 1 16 259.826 5 ↓
Hi High (pH 8-9.5) 3.10 4.27 -1.61 1 2 0 15 258.818 5 ↓
Lo Low (pH 4.5-6) 3.10 8.09 -121.59 3 2 2 21 260.834 5 ↓

Analogs

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Popular Name: 2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(5-methyl-2-thienyl)methyl]ethanamine 2-[(3S)-3-methylpyrrolidin-1-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) 2.52 6.93 -34.19 2 2 1 16 239.408 5 ↓
Hi High (pH 8-9.5) 2.52 4.42 -2.5 1 2 0 15 238.4 5 ↓
Lo Low (pH 4.5-6) 2.52 8.28 -115.43 3 2 2 21 240.416 5 ↓

Analogs

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Popular Name: 2-[(3R)-3-methylpyrrolidin-1-yl]-N-[(5-methyl-2-thienyl)methyl]ethanamine 2-[(3R)-3-methylpyrrolidin-1-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) 2.52 6.88 -34.45 2 2 1 16 239.408 5 ↓
Hi High (pH 8-9.5) 2.52 4.52 -2.49 1 2 0 15 238.4 5 ↓
Lo Low (pH 4.5-6) 2.52 8.23 -115.96 3 2 2 21 240.416 5 ↓

Analogs

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Popular Name: N-[(4-bromo-2-thienyl)methyl]-2-[(3R)-3-methylpyrrolidin-1-yl]ethanamine N-[(4-bromo-2-thienyl)methyl]-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) 3.04 6.69 -35.02 2 2 1 16 304.277 5 ↓
Hi High (pH 8-9.5) 3.04 4.23 -2.02 1 2 0 15 303.269 5 ↓
Lo Low (pH 4.5-6) 3.04 8.04 -119.88 3 2 2 21 305.285 5 ↓

Analogs

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Popular Name: N-[(4-bromo-2-thienyl)methyl]-2-[(3S)-3-methylpyrrolidin-1-yl]ethanamine N-[(4-bromo-2-thienyl)methyl]-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) 3.04 6.71 -35.07 2 2 1 16 304.277 5 ↓
Hi High (pH 8-9.5) 3.04 4.25 -1.93 1 2 0 15 303.269 5 ↓
Lo Low (pH 4.5-6) 3.04 8.07 -119.86 3 2 2 21 305.285 5 ↓

Analogs

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Popular Name: 2-[(3R)-3-methylpyrrolidin-1-yl]-N-[(1S)-1-(2-thienyl)ethyl]ethanamine 2-[(3R)-3-methylpyrrolidin-1-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) 2.86 6.73 -34.93 2 2 1 16 239.408 5 ↓
Mid Mid (pH 6-8) 2.86 7.91 -113.27 3 2 2 21 240.416 5 ↓

Analogs

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Popular Name: 2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(1S)-1-(2-thienyl)ethyl]ethanamine 2-[(3S)-3-methylpyrrolidin-1-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) 2.86 6.8 -34.73 2 2 1 16 239.408 5 ↓
Mid Mid (pH 6-8) 2.86 7.98 -113.19 3 2 2 21 240.416 5 ↓

Analogs

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Popular Name: (2S)-2-[(2R)-2-ethylpyrrolidin-1-yl]-N-(2-thienylmethyl)propan-1-amine (2S)-2-[(2R)-2-ethylpyrrolidin-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) 3.02 7.63 -28.16 2 2 1 16 253.435 6 ↓
Hi High (pH 8-9.5) 3.02 5.25 -1.51 1 2 0 15 252.427 6 ↓
Lo Low (pH 4.5-6) 3.02 8.5 -110.85 3 2 2 21 254.443 6 ↓

Analogs

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Popular Name: (2S)-2-[(2S)-2-ethylpyrrolidin-1-yl]-N-(2-thienylmethyl)propan-1-amine (2S)-2-[(2S)-2-ethylpyrrolidin-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) 3.02 7.5 -29.09 2 2 1 16 253.435 6 ↓
Hi High (pH 8-9.5) 3.02 5.93 -1.6 1 2 0 15 252.427 6 ↓
Lo Low (pH 4.5-6) 3.02 8.86 -113.03 3 2 2 21 254.443 6 ↓

Analogs

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Popular Name: (2S)-2-[(2R)-2-methylpyrrolidin-1-yl]-N-(2-thienylmethyl)propan-1-amine (2S)-2-[(2R)-2-methylpyrrolidin-…

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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) 2.49 6.63 -30.94 2 2 1 16 239.408 5 ↓
Hi High (pH 8-9.5) 2.49 4.4 -1.77 1 2 0 15 238.4 5 ↓
Lo Low (pH 4.5-6) 2.49 7.86 -110.58 3 2 2 21 240.416 5 ↓

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