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Analogs

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Popular Name: (1R,2R)-1-(5-methyl-2-thienyl)-1-[(3S)-3-morpholinopyrrolidin-1-yl]propan-2-amine (1R,2R)-1-(5-methyl-2-thienyl)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.25 1.69 -41.52 3 4 1 43 310.487 4 ↓
Hi High (pH 8-9.5) 1.25 1.38 -3.42 2 4 0 42 309.479 4 ↓
Mid Mid (pH 6-8) 1.25 3.9 -96.11 4 4 2 45 311.495 4 ↓

Analogs

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Popular Name: (1S,2R)-1-(5-methyl-2-thienyl)-1-[(3S)-3-morpholinopyrrolidin-1-yl]propan-2-amine (1S,2R)-1-(5-methyl-2-thienyl)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.25 2.56 -43.6 3 4 1 43 310.487 4 ↓
Hi High (pH 8-9.5) 1.25 2.28 -4.31 2 4 0 42 309.479 4 ↓
Mid Mid (pH 6-8) 1.25 4.75 -91.99 4 4 2 45 311.495 4 ↓

Analogs

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Popular Name: (1R,2S)-1-(5-methyl-2-thienyl)-1-[(3S)-3-morpholinopyrrolidin-1-yl]propan-2-amine (1R,2S)-1-(5-methyl-2-thienyl)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.25 2.44 -37.33 3 4 1 43 310.487 4 ↓
Hi High (pH 8-9.5) 1.25 1.78 -3.67 2 4 0 42 309.479 4 ↓
Mid Mid (pH 6-8) 1.25 4.73 -100.67 4 4 2 45 311.495 4 ↓

Analogs

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Popular Name: (1S,2S)-1-(5-methyl-2-thienyl)-1-[(3S)-3-morpholinopyrrolidin-1-yl]propan-2-amine (1S,2S)-1-(5-methyl-2-thienyl)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.25 1.65 -42.8 3 4 1 43 310.487 4 ↓
Hi High (pH 8-9.5) 1.25 1.34 -3.53 2 4 0 42 309.479 4 ↓
Mid Mid (pH 6-8) 1.25 3.87 -99.3 4 4 2 45 311.495 4 ↓

Analogs

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Popular Name: (2R)-2-(5-chloro-2-thienyl)-2-[(3S)-3-morpholinopyrrolidin-1-yl]ethanamine (2R)-2-(5-chloro-2-thienyl)-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) 1.43 1.12 -49.54 3 4 1 43 316.878 4 ↓
Hi High (pH 8-9.5) 1.43 0.75 -3.98 2 4 0 42 315.87 4 ↓
Mid Mid (pH 6-8) 1.43 3.33 -102.94 4 4 2 45 317.886 4 ↓

Analogs

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Popular Name: (2S)-2-(5-chloro-2-thienyl)-2-[(3S)-3-morpholinopyrrolidin-1-yl]ethanamine (2S)-2-(5-chloro-2-thienyl)-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) 1.43 1.2 -49.53 3 4 1 43 316.878 4 ↓
Hi High (pH 8-9.5) 1.43 1.51 -3.69 2 4 0 42 315.87 4 ↓
Mid Mid (pH 6-8) 1.43 3.4 -99.09 4 4 2 45 317.886 4 ↓

Analogs

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Popular Name: (2R)-2-(5-bromo-2-thienyl)-2-[(3S)-3-morpholinopyrrolidin-1-yl]ethanamine (2R)-2-(5-bromo-2-thienyl)-2-[(3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.56 1.22 -49.69 3 4 1 43 361.329 4 ↓
Hi High (pH 8-9.5) 1.56 1.51 -3.51 2 4 0 42 360.321 4 ↓
Mid Mid (pH 6-8) 1.56 3.43 -103.13 4 4 2 45 362.337 4 ↓

Analogs

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Popular Name: (2S)-2-(5-bromo-2-thienyl)-2-[(3S)-3-morpholinopyrrolidin-1-yl]ethanamine (2S)-2-(5-bromo-2-thienyl)-2-[(3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.56 1.3 -49.64 3 4 1 43 361.329 4 ↓
Hi High (pH 8-9.5) 1.56 0.94 -4.2 2 4 0 42 360.321 4 ↓
Mid Mid (pH 6-8) 1.56 3.5 -99.24 4 4 2 45 362.337 4 ↓

Analogs

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Popular Name: (1S,2S)-1-(4-bromo-2-thienyl)-1-[(3S)-3-morpholinopyrrolidin-1-yl]propan-2-amine (1S,2S)-1-(4-bromo-2-thienyl)-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 1.47 -43.07 3 4 1 43 375.356 4 ↓
Hi High (pH 8-9.5) 1.76 1.14 -2.97 2 4 0 42 374.348 4 ↓
Mid Mid (pH 6-8) 1.76 3.68 -99.96 4 4 2 45 376.364 4 ↓

Analogs

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Popular Name: (1S,2R)-1-(4-bromo-2-thienyl)-1-[(3S)-3-morpholinopyrrolidin-1-yl]propan-2-amine (1S,2R)-1-(4-bromo-2-thienyl)-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 2.27 -45.29 3 4 1 43 375.356 4 ↓
Hi High (pH 8-9.5) 1.76 2 -3.11 2 4 0 42 374.348 4 ↓
Mid Mid (pH 6-8) 1.76 4.57 -95.89 4 4 2 45 376.364 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-(4-bromo-2-thienyl)-1-[(3S)-3-morpholinopyrrolidin-1-yl]propan-2-amine (1R,2S)-1-(4-bromo-2-thienyl)-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 1.88 -47.6 3 4 1 43 375.356 4 ↓
Hi High (pH 8-9.5) 1.76 1.55 -2.86 2 4 0 42 374.348 4 ↓
Mid Mid (pH 6-8) 1.76 4.43 -103.98 4 4 2 45 376.364 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-(4-bromo-2-thienyl)-1-[(3S)-3-morpholinopyrrolidin-1-yl]propan-2-amine (1R,2R)-1-(4-bromo-2-thienyl)-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 1.49 -43.17 3 4 1 43 375.356 4 ↓
Hi High (pH 8-9.5) 1.76 1.16 -3.01 2 4 0 42 374.348 4 ↓
Mid Mid (pH 6-8) 1.76 3.7 -99.51 4 4 2 45 376.364 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(5-methyl-2-thienyl)-2-[(3S)-3-morpholinopyrrolidin-1-yl]ethanamine (2R)-2-(5-methyl-2-thienyl)-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) 0.84 1.32 -45.72 3 4 1 43 296.46 4 ↓
Hi High (pH 8-9.5) 0.84 1.26 -3.68 2 4 0 42 295.452 4 ↓
Mid Mid (pH 6-8) 0.84 3.53 -97.59 4 4 2 45 297.468 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(5-methyl-2-thienyl)-2-[(3S)-3-morpholinopyrrolidin-1-yl]ethanamine (2S)-2-(5-methyl-2-thienyl)-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) 0.84 1.4 -45.74 3 4 1 43 296.46 4 ↓
Hi High (pH 8-9.5) 0.84 1.45 -4.12 2 4 0 42 295.452 4 ↓
Mid Mid (pH 6-8) 0.84 3.6 -93.96 4 4 2 45 297.468 4 ↓

Analogs

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.40 1.45 -41.57 3 4 1 43 310.487 4 ↓
Hi High (pH 8-9.5) 1.40 1.18 -4.08 2 4 0 42 309.479 4 ↓
Mid Mid (pH 6-8) 1.40 3.66 -96.48 4 4 2 45 311.495 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.40 2.12 -37.8 3 4 1 43 310.487 4 ↓
Hi High (pH 8-9.5) 1.40 1.83 -2.83 2 4 0 42 309.479 4 ↓
Mid Mid (pH 6-8) 1.40 4.36 -103.47 4 4 2 45 311.495 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.40 2.22 -37.59 3 4 1 43 310.487 4 ↓
Hi High (pH 8-9.5) 1.40 1.96 -3.3 2 4 0 42 309.479 4 ↓
Mid Mid (pH 6-8) 1.40 4.49 -100.98 4 4 2 45 311.495 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.40 1.39 -43.02 3 4 1 43 310.487 4 ↓
Hi High (pH 8-9.5) 1.40 1.07 -3.42 2 4 0 42 309.479 4 ↓
Mid Mid (pH 6-8) 1.40 3.6 -99.84 4 4 2 45 311.495 4 ↓

Analogs

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Popular Name: (2R)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-2-(2-thienyl)ethanamine (2R)-2-[(3S)-3-morpholinopyrroli…

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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) 0.62 0.81 -47.52 3 4 1 43 282.433 4 ↓
Hi High (pH 8-9.5) 0.62 0.64 -3.83 2 4 0 42 281.425 4 ↓
Mid Mid (pH 6-8) 0.62 3.02 -113.2 4 4 2 45 283.441 4 ↓

Analogs

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Popular Name: (2S)-2-[(3S)-3-morpholinopyrrolidin-1-yl]-2-(2-thienyl)ethanamine (2S)-2-[(3S)-3-morpholinopyrroli…

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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) 0.62 0.67 -48.63 3 4 1 43 282.433 4 ↓
Hi High (pH 8-9.5) 0.62 0.45 -3.23 2 4 0 42 281.425 4 ↓
Mid Mid (pH 6-8) 0.62 2.88 -114.54 4 4 2 45 283.441 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-1-[(3S)-3-morpholinopyrrolidin-1-yl]-1-(2-thienyl)propan-2-amine (1S,2S)-1-[(3S)-3-morpholinopyrr…

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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) 1.02 1.67 -38.39 3 4 1 43 296.46 4 ↓
Hi High (pH 8-9.5) 1.02 1.28 -3.02 2 4 0 42 295.452 4 ↓
Mid Mid (pH 6-8) 1.02 3.87 -92.61 4 4 2 45 297.468 4 ↓

Analogs

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Popular Name: (1S,2R)-1-[(3S)-3-morpholinopyrrolidin-1-yl]-1-(2-thienyl)propan-2-amine (1S,2R)-1-[(3S)-3-morpholinopyrr…

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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) 1.02 1.7 -43.71 3 4 1 43 296.46 4 ↓
Hi High (pH 8-9.5) 1.02 1.45 -4.02 2 4 0 42 295.452 4 ↓
Mid Mid (pH 6-8) 1.02 3.95 -92.42 4 4 2 45 297.468 4 ↓

Analogs

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Popular Name: (1R,2S)-1-[(3S)-3-morpholinopyrrolidin-1-yl]-1-(2-thienyl)propan-2-amine (1R,2S)-1-[(3S)-3-morpholinopyrr…

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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) 1.02 1.62 -43.41 3 4 1 43 296.46 4 ↓
Hi High (pH 8-9.5) 1.02 1.31 -3.03 2 4 0 42 295.452 4 ↓
Mid Mid (pH 6-8) 1.02 3.87 -95.81 4 4 2 45 297.468 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-[(3S)-3-morpholinopyrrolidin-1-yl]-1-(2-thienyl)propan-2-amine (1R,2R)-1-[(3S)-3-morpholinopyrr…

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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) 1.02 0.87 -41.66 3 4 1 43 296.46 4 ↓
Hi High (pH 8-9.5) 1.02 0.56 -3.31 2 4 0 42 295.452 4 ↓
Mid Mid (pH 6-8) 1.02 3.08 -96.05 4 4 2 45 297.468 4 ↓

Analogs

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Popular Name: (1S,2S)-1-(5-chloro-2-thienyl)-1-[(3S)-3-morpholinopyrrolidin-1-yl]propan-2-amine (1S,2S)-1-(5-chloro-2-thienyl)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.83 1.47 -44.81 3 4 1 43 330.905 4 ↓
Hi High (pH 8-9.5) 1.83 1.19 -3.54 2 4 0 42 329.897 4 ↓
Mid Mid (pH 6-8) 1.83 3.68 -102.24 4 4 2 45 331.913 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-1-(5-chloro-2-thienyl)-1-[(3S)-3-morpholinopyrrolidin-1-yl]propan-2-amine (1S,2R)-1-(5-chloro-2-thienyl)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.83 2.32 -47.42 3 4 1 43 330.905 4 ↓
Hi High (pH 8-9.5) 1.83 2.09 -4.03 2 4 0 42 329.897 4 ↓
Mid Mid (pH 6-8) 1.83 4.54 -97.16 4 4 2 45 331.913 4 ↓

Analogs

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Popular Name: (1R,2S)-1-(5-chloro-2-thienyl)-1-[(3S)-3-morpholinopyrrolidin-1-yl]propan-2-amine (1R,2S)-1-(5-chloro-2-thienyl)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.83 2.39 -47.64 3 4 1 43 330.905 4 ↓
Hi High (pH 8-9.5) 1.83 1.85 -3.13 2 4 0 42 329.897 4 ↓
Mid Mid (pH 6-8) 1.83 4.59 -105.33 4 4 2 45 331.913 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-1-(5-chloro-2-thienyl)-1-[(3S)-3-morpholinopyrrolidin-1-yl]propan-2-amine (1R,2R)-1-(5-chloro-2-thienyl)-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.83 1.5 -45.06 3 4 1 43 330.905 4 ↓
Hi High (pH 8-9.5) 1.83 1.2 -2.77 2 4 0 42 329.897 4 ↓
Mid Mid (pH 6-8) 1.83 3.71 -101.08 4 4 2 45 331.913 4 ↓

Analogs

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Popular Name: (1S,2S)-1-(5-bromo-2-thienyl)-1-[(3S)-3-morpholinopyrrolidin-1-yl]propan-2-amine (1S,2S)-1-(5-bromo-2-thienyl)-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.96 1.57 -44.92 3 4 1 43 375.356 4 ↓
Hi High (pH 8-9.5) 1.96 1.3 -3.52 2 4 0 42 374.348 4 ↓
Mid Mid (pH 6-8) 1.96 3.79 -102.48 4 4 2 45 376.364 4 ↓

Analogs

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Popular Name: (1S,2R)-1-(5-bromo-2-thienyl)-1-[(3S)-3-morpholinopyrrolidin-1-yl]propan-2-amine (1S,2R)-1-(5-bromo-2-thienyl)-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.96 2.48 -47.69 3 4 1 43 375.356 4 ↓
Hi High (pH 8-9.5) 1.96 2.13 -3.42 2 4 0 42 374.348 4 ↓
Mid Mid (pH 6-8) 1.96 4.64 -97.32 4 4 2 45 376.364 4 ↓

Analogs

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Popular Name: (1R,2S)-1-(5-bromo-2-thienyl)-1-[(3S)-3-morpholinopyrrolidin-1-yl]propan-2-amine (1R,2S)-1-(5-bromo-2-thienyl)-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.96 2.33 -40.14 3 4 1 43 375.356 4 ↓
Hi High (pH 8-9.5) 1.96 2.18 -2.69 2 4 0 42 374.348 4 ↓
Mid Mid (pH 6-8) 1.96 4.7 -105.48 4 4 2 45 376.364 4 ↓

Analogs

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Popular Name: (1R,2R)-1-(5-bromo-2-thienyl)-1-[(3S)-3-morpholinopyrrolidin-1-yl]propan-2-amine (1R,2R)-1-(5-bromo-2-thienyl)-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.96 1.6 -45.13 3 4 1 43 375.356 4 ↓
Hi High (pH 8-9.5) 1.96 1.27 -3.3 2 4 0 42 374.348 4 ↓
Mid Mid (pH 6-8) 1.96 3.81 -101.34 4 4 2 45 376.364 4 ↓

Analogs

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Popular Name: (1S,2S)-1-[(3S)-3-morpholinopyrrolidin-1-yl]-1-(2-thienyl)butan-2-amine (1S,2S)-1-[(3S)-3-morpholinopyrr…

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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 2.39 -37.16 3 4 1 43 310.487 5 ↓
Hi High (pH 8-9.5) 1.56 1.99 -2.83 2 4 0 42 309.479 5 ↓
Mid Mid (pH 6-8) 1.56 4.6 -92.12 4 4 2 45 311.495 5 ↓

Analogs

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Popular Name: (1S,2R)-1-[(3S)-3-morpholinopyrrolidin-1-yl]-1-(2-thienyl)butan-2-amine (1S,2R)-1-[(3S)-3-morpholinopyrr…

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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 2.57 -43.23 3 4 1 43 310.487 5 ↓
Hi High (pH 8-9.5) 1.56 2.23 -3.59 2 4 0 42 309.479 5 ↓
Mid Mid (pH 6-8) 1.56 4.78 -92.12 4 4 2 45 311.495 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-1-[(3S)-3-morpholinopyrrolidin-1-yl]-1-(2-thienyl)butan-2-amine (1R,2S)-1-[(3S)-3-morpholinopyrr…

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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 2.52 -43.51 3 4 1 43 310.487 5 ↓
Hi High (pH 8-9.5) 1.56 1.84 -3.28 2 4 0 42 309.479 5 ↓
Mid Mid (pH 6-8) 1.56 4.71 -99.96 4 4 2 45 311.495 5 ↓

Analogs

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Popular Name: (1R,2R)-1-[(3S)-3-morpholinopyrrolidin-1-yl]-1-(2-thienyl)butan-2-amine (1R,2R)-1-[(3S)-3-morpholinopyrr…

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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 2.39 -37.61 3 4 1 43 310.487 5 ↓
Hi High (pH 8-9.5) 1.56 1.72 -3.19 2 4 0 42 309.479 5 ↓
Mid Mid (pH 6-8) 1.56 4.61 -92.23 4 4 2 45 311.495 5 ↓

Analogs

43247978
43247978
43247979
43247979
43247980
43247980
43247981
43247981

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Popular Name: (2R)-2-(3-methyl-2-thienyl)-2-[(3S)-3-morpholinopyrrolidin-1-yl]ethanamine (2R)-2-(3-methyl-2-thienyl)-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) 1.00 1.03 -45.59 3 4 1 43 296.46 4 ↓
Hi High (pH 8-9.5) 1.00 1.12 -3.84 2 4 0 42 295.452 4 ↓
Mid Mid (pH 6-8) 1.00 3.24 -97.25 4 4 2 45 297.468 4 ↓

Analogs

43247978
43247978
43247979
43247979
43247980
43247980
43247981
43247981
43248092
43248092

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Popular Name: (2S)-2-(3-methyl-2-thienyl)-2-[(3S)-3-morpholinopyrrolidin-1-yl]ethanamine (2S)-2-(3-methyl-2-thienyl)-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) 1.00 1.23 -48.86 3 4 1 43 296.46 4 ↓
Hi High (pH 8-9.5) 1.00 0.65 -4.17 2 4 0 42 295.452 4 ↓
Mid Mid (pH 6-8) 1.00 3.44 -115.54 4 4 2 45 297.468 4 ↓

Analogs

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Popular Name: (2S)-2-(4-bromo-2-thienyl)-2-[(3S)-3-morpholinopyrrolidin-1-yl]ethanamine (2S)-2-(4-bromo-2-thienyl)-2-[(3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.36 1.19 -47.09 3 4 1 43 361.329 4 ↓
Hi High (pH 8-9.5) 1.36 1.5 -3.46 2 4 0 42 360.321 4 ↓
Mid Mid (pH 6-8) 1.36 3.39 -97.43 4 4 2 45 362.337 4 ↓

Analogs

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Popular Name: (2R)-2-(5-ethyl-2-thienyl)-2-[(3S)-3-morpholinopyrrolidin-1-yl]ethanamine (2R)-2-(5-ethyl-2-thienyl)-2-[(3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.42 2.1 -45.76 3 4 1 43 310.487 5 ↓
Hi High (pH 8-9.5) 1.42 2.19 -3.7 2 4 0 42 309.479 5 ↓
Mid Mid (pH 6-8) 1.42 4.32 -97.62 4 4 2 45 311.495 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(5-ethyl-2-thienyl)-2-[(3S)-3-morpholinopyrrolidin-1-yl]ethanamine (2S)-2-(5-ethyl-2-thienyl)-2-[(3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.42 2.19 -45.7 3 4 1 43 310.487 5 ↓
Hi High (pH 8-9.5) 1.42 2.11 -3.51 2 4 0 42 309.479 5 ↓
Mid Mid (pH 6-8) 1.42 4.39 -94.25 4 4 2 45 311.495 5 ↓

Analogs

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Popular Name: 4-[(3S)-1-[(4-bromo-2-thienyl)methyl]pyrrolidin-3-yl]morpholine 4-[(3S)-1-[(4-bromo-2-thienyl)me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 3.21 -3.32 0 3 0 16 331.279 3 ↓
Mid Mid (pH 6-8) 2.37 5.72 -39.63 1 3 1 17 332.287 3 ↓
Mid Mid (pH 6-8) 2.37 5.42 -38.13 1 3 1 17 332.287 3 ↓

Analogs

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Popular Name: 4-[(3R)-1-[(4-bromo-2-thienyl)methyl]pyrrolidin-3-yl]morpholine 4-[(3R)-1-[(4-bromo-2-thienyl)me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 3.3 -3.47 0 3 0 16 331.279 3 ↓
Mid Mid (pH 6-8) 2.37 5.68 -39.73 1 3 1 17 332.287 3 ↓
Mid Mid (pH 6-8) 2.37 5.51 -37.73 1 3 1 17 332.287 3 ↓

Analogs

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Popular Name: 4-[(3S)-1-[(5-bromo-2-thienyl)methyl]pyrrolidin-3-yl]morpholine 4-[(3S)-1-[(5-bromo-2-thienyl)me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.57 3.1 -3.23 0 3 0 16 331.279 3 ↓
Mid Mid (pH 6-8) 2.57 5.52 -39.15 1 3 1 17 332.287 3 ↓
Mid Mid (pH 6-8) 2.57 5.6 -41.44 1 3 1 17 332.287 3 ↓

Analogs

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Popular Name: 4-[(3R)-1-[(5-bromo-2-thienyl)methyl]pyrrolidin-3-yl]morpholine 4-[(3R)-1-[(5-bromo-2-thienyl)me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.57 3.42 -3.71 0 3 0 16 331.279 3 ↓
Mid Mid (pH 6-8) 2.57 5.77 -41.13 1 3 1 17 332.287 3 ↓
Mid Mid (pH 6-8) 2.57 5.63 -38.64 1 3 1 17 332.287 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3S)-1-[(3-bromo-2-thienyl)methyl]pyrrolidin-3-yl]morpholine 4-[(3S)-1-[(3-bromo-2-thienyl)me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 2.69 -3.43 0 3 0 16 331.279 3 ↓
Mid Mid (pH 6-8) 2.37 5.12 -36.66 1 3 1 17 332.287 3 ↓
Mid Mid (pH 6-8) 2.37 5.18 -35.34 1 3 1 17 332.287 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3R)-1-[(3-bromo-2-thienyl)methyl]pyrrolidin-3-yl]morpholine 4-[(3R)-1-[(3-bromo-2-thienyl)me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 3.01 -3.67 0 3 0 16 331.279 3 ↓
Mid Mid (pH 6-8) 2.37 5.38 -34.93 1 3 1 17 332.287 3 ↓
Mid Mid (pH 6-8) 2.37 5.22 -36.33 1 3 1 17 332.287 3 ↓

Analogs

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Popular Name: 3-[5-[[(3S)-3-morpholinopyrrolidin-1-yl]methyl]-3-thienyl]prop-2-yn-1-amine 3-[5-[[(3S)-3-morpholinopyrrolid…

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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) 0.57 2.11 -48.14 3 4 1 43 306.455 3 ↓
Mid Mid (pH 6-8) 0.57 4.32 -93.22 4 4 2 45 307.463 3 ↓
Mid Mid (pH 6-8) 0.57 1.7 -5.98 2 4 0 42 305.447 3 ↓

Analogs

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Popular Name: 3-[5-[[(3R)-3-morpholinopyrrolidin-1-yl]methyl]-3-thienyl]prop-2-yn-1-amine 3-[5-[[(3R)-3-morpholinopyrrolid…

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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) 0.57 2.2 -48.09 3 4 1 43 306.455 3 ↓
Mid Mid (pH 6-8) 0.57 1.8 -6.04 2 4 0 42 305.447 3 ↓
Mid Mid (pH 6-8) 0.57 4.41 -92.39 4 4 2 45 307.463 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-[[(3S)-3-morpholinopyrrolidin-1-yl]methyl]-2-thienyl]prop-2-yn-1-amine 3-[5-[[(3S)-3-morpholinopyrrolid…

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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 1.87 -6.56 2 4 0 42 305.447 3 ↓
Mid Mid (pH 6-8) 0.88 2.28 -48.79 3 4 1 43 306.455 3 ↓
Lo Low (pH 4.5-6) 0.88 4.49 -91.09 4 4 2 45 307.463 3 ↓

Parameters Provided:

ring.id = 325440
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 = 325440 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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