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Analogs

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Popular Name: (2R)-3-chloro-2-methyl-1-[(2R)-2-(3-thienyl)pyrrolidin-1-yl]propan-1-one (2R)-3-chloro-2-methyl-1-[(2R)-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) 2.59 7.45 -7.53 0 2 0 20 257.786 3 ↓

Analogs

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Popular Name: (2S)-3-chloro-2-methyl-1-[(2R)-2-(3-thienyl)pyrrolidin-1-yl]propan-1-one (2S)-3-chloro-2-methyl-1-[(2R)-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) 2.59 7.65 -7.38 0 2 0 20 257.786 3 ↓

Analogs

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Popular Name: (2R)-3-chloro-2-methyl-1-[(2S)-2-(3-thienyl)pyrrolidin-1-yl]propan-1-one (2R)-3-chloro-2-methyl-1-[(2S)-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) 2.59 7.61 -7.38 0 2 0 20 257.786 3 ↓

Analogs

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Popular Name: (2S)-3-chloro-2-methyl-1-[(2S)-2-(3-thienyl)pyrrolidin-1-yl]propan-1-one (2S)-3-chloro-2-methyl-1-[(2S)-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) 2.59 7.48 -7.55 0 2 0 20 257.786 3 ↓

Analogs

43710457
43710457
43710458
43710458
43710460
43710460
43710462
43710462

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Popular Name: 2-ethoxy-1-[(2R)-2-(3-thienyl)pyrrolidin-1-yl]ethanone 2-ethoxy-1-[(2R)-2-(3-thienyl)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) 1.60 6.92 -12.24 0 3 0 30 239.34 4 ↓

Analogs

43605152
43605152
43605153
43605153

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Popular Name: 3-(ethylamino)-1-[(2R)-2-(3-thienyl)pyrrolidin-1-yl]propan-1-one 3-(ethylamino)-1-[(2R)-2-(3-thie…

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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) 1.32 6.64 -44.25 2 3 1 37 253.391 5 ↓

Analogs

43605152
43605152
43605153
43605153

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Popular Name: 3-(ethylamino)-1-[(2S)-2-(3-thienyl)pyrrolidin-1-yl]propan-1-one 3-(ethylamino)-1-[(2S)-2-(3-thie…

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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) 1.32 6.65 -44.31 2 3 1 37 253.391 5 ↓

Analogs

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Popular Name: 2-(ethylamino)-2-methyl-1-[(2R)-2-(3-thienyl)pyrrolidin-1-yl]propan-1-one 2-(ethylamino)-2-methyl-1-[(2R)-…

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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 6.86 -43.92 2 3 1 37 267.418 4 ↓
Hi High (pH 8-9.5) 2.21 6.38 -6.96 1 3 0 32 266.41 4 ↓

Analogs

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Popular Name: 2-(ethylamino)-2-methyl-1-[(2S)-2-(3-thienyl)pyrrolidin-1-yl]propan-1-one 2-(ethylamino)-2-methyl-1-[(2S)-…

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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 6.84 -43.43 2 3 1 37 267.418 4 ↓
Hi High (pH 8-9.5) 2.21 6.63 -6.88 1 3 0 32 266.41 4 ↓

Analogs

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Popular Name: 2-methyl-2-(methylamino)-1-[(2R)-2-(3-thienyl)pyrrolidin-1-yl]propan-1-one 2-methyl-2-(methylamino)-1-[(2R)…

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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 6.04 -46.34 2 3 1 37 253.391 3 ↓
Hi High (pH 8-9.5) 1.83 5.88 -7.28 1 3 0 32 252.383 3 ↓

Analogs

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Popular Name: 2-methyl-2-(methylamino)-1-[(2S)-2-(3-thienyl)pyrrolidin-1-yl]propan-1-one 2-methyl-2-(methylamino)-1-[(2S)…

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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 6.03 -45.85 2 3 1 37 253.391 3 ↓
Hi High (pH 8-9.5) 1.83 5.74 -7.31 1 3 0 32 252.383 3 ↓

Analogs

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Popular Name: (2S)-2-bromo-1-[(2R)-2-(3-thienyl)pyrrolidin-1-yl]butan-1-one (2S)-2-bromo-1-[(2R)-2-(3-thieny…

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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) 2.84 7.8 -8.18 0 2 0 20 302.237 3 ↓

Analogs

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Popular Name: (2R)-2-bromo-1-[(2R)-2-(3-thienyl)pyrrolidin-1-yl]butan-1-one (2R)-2-bromo-1-[(2R)-2-(3-thieny…

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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) 2.84 7.79 -8.12 0 2 0 20 302.237 3 ↓

Analogs

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Popular Name: (2S)-2-bromo-1-[(2S)-2-(3-thienyl)pyrrolidin-1-yl]butan-1-one (2S)-2-bromo-1-[(2S)-2-(3-thieny…

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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) 2.84 7.79 -8.15 0 2 0 20 302.237 3 ↓

Analogs

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Popular Name: (2R)-2-bromo-1-[(2S)-2-(3-thienyl)pyrrolidin-1-yl]butan-1-one (2R)-2-bromo-1-[(2S)-2-(3-thieny…

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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) 2.84 7.81 -8.17 0 2 0 20 302.237 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 0.77 5.28 -20.73 0 6 0 81 345.442 7 ↓

Analogs

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Popular Name: methyl methyl

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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) 0.77 5.29 -20.7 0 6 0 81 345.442 7 ↓

Analogs

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Popular Name: [(2S,3S)-2-(2,5-dimethyl-3-thienyl)-1-methyl-pyrrolidin-3-yl]methanamine [(2S,3S)-2-(2,5-dimethyl-3-thien…

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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 4.03 -43.22 3 2 1 31 225.381 2 ↓
Mid Mid (pH 6-8) 1.26 5.73 -101.55 4 2 2 32 226.389 2 ↓

Analogs

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Popular Name: [(2R,3S)-2-(2,5-dimethyl-3-thienyl)-1-methyl-pyrrolidin-3-yl]methanamine [(2R,3S)-2-(2,5-dimethyl-3-thien…

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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 4.19 -49.03 3 2 1 31 225.381 2 ↓
Mid Mid (pH 6-8) 1.26 5.96 -108.07 4 2 2 32 226.389 2 ↓

Analogs

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Popular Name: [(2S,3R)-2-(2,5-dimethyl-3-thienyl)-1-methyl-pyrrolidin-3-yl]methanamine [(2S,3R)-2-(2,5-dimethyl-3-thien…

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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 2.82 -46.35 3 2 1 31 225.381 2 ↓
Mid Mid (pH 6-8) 1.26 5.32 -106.18 4 2 2 32 226.389 2 ↓

Analogs

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Popular Name: [(2R,3R)-2-(2,5-dimethyl-3-thienyl)-1-methyl-pyrrolidin-3-yl]methanamine [(2R,3R)-2-(2,5-dimethyl-3-thien…

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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 4.03 -44.38 3 2 1 31 225.381 2 ↓
Mid Mid (pH 6-8) 1.26 5.67 -101.85 4 2 2 32 226.389 2 ↓

Analogs

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Popular Name: [(2R,3R)-1-methyl-2-(3-thienyl)pyrrolidin-3-yl]methanamine [(2R,3R)-1-methyl-2-(3-thienyl)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) 0.82 2.07 -41.85 3 2 1 31 197.327 2 ↓
Mid Mid (pH 6-8) 0.82 4.21 -101.6 4 2 2 32 198.335 2 ↓

Analogs

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Popular Name: [(2R,3S)-1-methyl-2-(3-thienyl)pyrrolidin-3-yl]methanamine [(2R,3S)-1-methyl-2-(3-thienyl)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) 0.82 1.44 -45.05 3 2 1 31 197.327 2 ↓
Mid Mid (pH 6-8) 0.82 3.89 -104.75 4 2 2 32 198.335 2 ↓

Analogs

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Popular Name: 1-[(2S,3S)-2-(2,5-dimethyl-3-thienyl)-1-methyl-pyrrolidin-3-yl]-N-methyl-methanamine 1-[(2S,3S)-2-(2,5-dimethyl-3-thi…

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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) 2.24 5.91 -38.39 2 2 1 20 239.408 3 ↓
Mid Mid (pH 6-8) 2.24 7.61 -97.29 3 2 2 21 240.416 3 ↓

Analogs

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Popular Name: 1-[(2R,3S)-2-(2,5-dimethyl-3-thienyl)-1-methyl-pyrrolidin-3-yl]-N-methyl-methanamine 1-[(2R,3S)-2-(2,5-dimethyl-3-thi…

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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) 2.24 6.07 -43.44 2 2 1 20 239.408 3 ↓
Mid Mid (pH 6-8) 2.24 7.84 -103.01 3 2 2 21 240.416 3 ↓

Analogs

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Popular Name: 1-[(2S,3R)-2-(2,5-dimethyl-3-thienyl)-1-methyl-pyrrolidin-3-yl]-N-methyl-methanamine 1-[(2S,3R)-2-(2,5-dimethyl-3-thi…

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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) 2.24 6.12 -42.95 2 2 1 20 239.408 3 ↓
Mid Mid (pH 6-8) 2.24 7.77 -100.98 3 2 2 21 240.416 3 ↓

Analogs

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Popular Name: 1-[(2R,3R)-2-(2,5-dimethyl-3-thienyl)-1-methyl-pyrrolidin-3-yl]-N-methyl-methanamine 1-[(2R,3R)-2-(2,5-dimethyl-3-thi…

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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) 2.24 5.91 -39.42 2 2 1 20 239.408 3 ↓
Mid Mid (pH 6-8) 2.24 7.54 -97.47 3 2 2 21 240.416 3 ↓

Analogs

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Popular Name: N-methyl-1-[(2S,3S)-1-methyl-2-(3-thienyl)pyrrolidin-3-yl]methanamine N-methyl-1-[(2S,3S)-1-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) 1.80 3.94 -37.02 2 2 1 20 211.354 3 ↓
Mid Mid (pH 6-8) 1.80 6.09 -97.18 3 2 2 21 212.362 3 ↓

Analogs

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Popular Name: N-methyl-1-[(2S,3R)-1-methyl-2-(3-thienyl)pyrrolidin-3-yl]methanamine N-methyl-1-[(2S,3R)-1-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) 1.80 4.25 -40.75 2 2 1 20 211.354 3 ↓
Mid Mid (pH 6-8) 1.80 6.41 -101.41 3 2 2 21 212.362 3 ↓

Analogs

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Popular Name: N-[[(2S,3S)-1-methyl-2-(3-thienyl)pyrrolidin-3-yl]methyl]ethanamine N-[[(2S,3S)-1-methyl-2-(3-thieny…

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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) 1.82 4.8 -35.69 2 2 1 20 225.381 4 ↓
Mid Mid (pH 6-8) 1.82 6.95 -97.15 3 2 2 21 226.389 4 ↓

Analogs

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Popular Name: N-[[(2S,3R)-1-methyl-2-(3-thienyl)pyrrolidin-3-yl]methyl]ethanamine N-[[(2S,3R)-1-methyl-2-(3-thieny…

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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) 1.82 5.11 -39.83 2 2 1 20 225.381 4 ↓
Mid Mid (pH 6-8) 1.82 7.27 -101.98 3 2 2 21 226.389 4 ↓

Analogs

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Popular Name: N-[[(2S,3S)-1-methyl-2-(3-thienyl)pyrrolidin-3-yl]methyl]propan-1-amine N-[[(2S,3S)-1-methyl-2-(3-thieny…

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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) 2.33 5.55 -36.66 2 2 1 20 239.408 5 ↓
Mid Mid (pH 6-8) 2.33 7.71 -99.01 3 2 2 21 240.416 5 ↓

Analogs

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Popular Name: N-[[(2S,3R)-1-methyl-2-(3-thienyl)pyrrolidin-3-yl]methyl]propan-1-amine N-[[(2S,3R)-1-methyl-2-(3-thieny…

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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) 2.33 5.86 -40.81 2 2 1 20 239.408 5 ↓
Mid Mid (pH 6-8) 2.33 8.02 -103.88 3 2 2 21 240.416 5 ↓

Analogs

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Popular Name: N-[[(2S,3S)-1-methyl-2-(3-thienyl)pyrrolidin-3-yl]methyl]propan-2-amine N-[[(2S,3S)-1-methyl-2-(3-thieny…

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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) 2.47 5.32 -34.65 2 2 1 20 239.408 4 ↓
Mid Mid (pH 6-8) 2.47 7.48 -96.49 3 2 2 21 240.416 4 ↓

Analogs

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Popular Name: N-[[(2S,3R)-1-methyl-2-(3-thienyl)pyrrolidin-3-yl]methyl]propan-2-amine N-[[(2S,3R)-1-methyl-2-(3-thieny…

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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) 2.47 5.63 -38.41 2 2 1 20 239.408 4 ↓
Mid Mid (pH 6-8) 2.47 7.78 -101.61 3 2 2 21 240.416 4 ↓

Analogs

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Popular Name: [(2R,3R)-2-(2,5-dimethyl-3-thienyl)-1-ethyl-pyrrolidin-3-yl]methanamine [(2R,3R)-2-(2,5-dimethyl-3-thien…

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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) 1.64 4.85 -42.76 3 2 1 31 239.408 3 ↓
Mid Mid (pH 6-8) 1.64 6.46 -101.68 4 2 2 32 240.416 3 ↓

Analogs

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Popular Name: [(2R,3S)-2-(2,5-dimethyl-3-thienyl)-1-ethyl-pyrrolidin-3-yl]methanamine [(2R,3S)-2-(2,5-dimethyl-3-thien…

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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) 1.64 3.77 -45.93 3 2 1 31 239.408 3 ↓
Mid Mid (pH 6-8) 1.64 5.97 -106.43 4 2 2 32 240.416 3 ↓

Analogs

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Popular Name: [(2R,3R)-1-ethyl-2-(3-thienyl)pyrrolidin-3-yl]methanamine [(2R,3R)-1-ethyl-2-(3-thienyl)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) 1.20 2.92 -41.8 3 2 1 31 211.354 3 ↓
Mid Mid (pH 6-8) 1.20 4.93 -101.53 4 2 2 32 212.362 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-1-ethyl-2-(3-thienyl)pyrrolidin-3-yl]methanamine [(2R,3S)-1-ethyl-2-(3-thienyl)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) 1.20 3.23 -45.48 3 2 1 31 211.354 3 ↓
Mid Mid (pH 6-8) 1.20 5.11 -104.53 4 2 2 32 212.362 3 ↓

Analogs

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Popular Name: 1-[(2R,3R)-1-ethyl-2-(3-thienyl)pyrrolidin-3-yl]-N-methyl-methanamine 1-[(2R,3R)-1-ethyl-2-(3-thienyl)…

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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) 2.18 4.8 -37.04 2 2 1 20 225.381 4 ↓
Mid Mid (pH 6-8) 2.18 6.8 -97.08 3 2 2 21 226.389 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,3S)-1-ethyl-2-(3-thienyl)pyrrolidin-3-yl]-N-methyl-methanamine 1-[(2R,3S)-1-ethyl-2-(3-thienyl)…

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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) 2.18 5.1 -40.32 2 2 1 20 225.381 4 ↓
Mid Mid (pH 6-8) 2.18 7 -99.9 3 2 2 21 226.389 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3R)-1-propyl-2-(3-thienyl)pyrrolidin-3-yl]methanamine [(2R,3R)-1-propyl-2-(3-thienyl)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) 1.70 3.67 -41.91 3 2 1 31 225.381 4 ↓
Mid Mid (pH 6-8) 1.70 5.67 -102.93 4 2 2 32 226.389 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-1-propyl-2-(3-thienyl)pyrrolidin-3-yl]methanamine [(2R,3S)-1-propyl-2-(3-thienyl)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) 1.70 2.97 -44.98 3 2 1 31 225.381 4 ↓
Mid Mid (pH 6-8) 1.70 5.32 -105.93 4 2 2 32 226.389 4 ↓

Analogs

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Popular Name: N-methyl-1-[(2R,3R)-1-propyl-2-(3-thienyl)pyrrolidin-3-yl]methanamine N-methyl-1-[(2R,3R)-1-propyl-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) 2.68 5.55 -37 2 2 1 20 239.408 5 ↓
Mid Mid (pH 6-8) 2.68 7.55 -98.54 3 2 2 21 240.416 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[(2R,3S)-1-propyl-2-(3-thienyl)pyrrolidin-3-yl]methanamine N-methyl-1-[(2R,3S)-1-propyl-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) 2.68 5.84 -40.33 2 2 1 20 239.408 5 ↓
Mid Mid (pH 6-8) 2.68 7.75 -101.26 3 2 2 21 240.416 5 ↓

Analogs

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Popular Name: [(2R,3R)-1-isopropyl-2-(3-thienyl)pyrrolidin-3-yl]methanamine [(2R,3R)-1-isopropyl-2-(3-thieny…

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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) 1.49 3.26 -41.76 3 2 1 31 225.381 3 ↓
Mid Mid (pH 6-8) 1.49 5.23 -101.19 4 2 2 32 226.389 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,3S)-1-isopropyl-2-(3-thienyl)pyrrolidin-3-yl]methanamine [(2R,3S)-1-isopropyl-2-(3-thieny…

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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) 1.49 3.75 -45.52 3 2 1 31 225.381 3 ↓
Mid Mid (pH 6-8) 1.49 5.62 -103.89 4 2 2 32 226.389 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,3R)-1-isopropyl-2-(3-thienyl)pyrrolidin-3-yl]-N-methyl-methanamine 1-[(2R,3R)-1-isopropyl-2-(3-thie…

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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) 2.47 5.14 -36.9 2 2 1 20 239.408 4 ↓
Mid Mid (pH 6-8) 2.47 7.1 -96.75 3 2 2 21 240.416 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,3S)-1-isopropyl-2-(3-thienyl)pyrrolidin-3-yl]-N-methyl-methanamine 1-[(2R,3S)-1-isopropyl-2-(3-thie…

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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) 2.47 5.62 -40.34 2 2 1 20 239.408 4 ↓
Mid Mid (pH 6-8) 2.47 7.5 -99.18 3 2 2 21 240.416 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R)-2-(2,5-dimethyl-3-thienyl)-1-methyl-pyrrolidin-3-amine (2R,3R)-2-(2,5-dimethyl-3-thieny…

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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) 0.95 3.96 -37.16 3 2 1 31 211.354 1 ↓
Hi High (pH 8-9.5) 0.95 3.71 -2.66 2 2 0 29 210.346 1 ↓
Lo Low (pH 4.5-6) 0.95 5.55 -104.68 4 2 2 32 212.362 1 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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