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Popular Name: (1S)-1-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methyl-ethanamine (1S)-1-[3-chloro-4-(2-pyrrolidin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.15 8.4 -84.95 3 3 2 30 284.831 6 ↓
Hi High (pH 8-9.5) 3.15 5.9 -43.86 2 3 1 29 283.823 6 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methyl-ethanamine (1R)-1-[3-chloro-4-(2-pyrrolidin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.15 8.39 -85.54 3 3 2 30 284.831 6 ↓
Hi High (pH 8-9.5) 3.15 5.89 -43.74 2 3 1 29 283.823 6 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethyl-ethanamine (1S)-1-[3-chloro-4-(2-pyrrolidin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.53 9.25 -83.93 3 3 2 30 298.858 7 ↓
Hi High (pH 8-9.5) 3.53 6.74 -42.38 2 3 1 29 297.85 7 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethyl-ethanamine (1R)-1-[3-chloro-4-(2-pyrrolidin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.53 9.24 -84.38 3 3 2 30 298.858 7 ↓
Hi High (pH 8-9.5) 3.53 6.73 -42.31 2 3 1 29 297.85 7 ↓

Analogs

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Popular Name: N-[(1S)-1-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethyl]propan-1-amine N-[(1S)-1-[3-chloro-4-(2-pyrroli…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.03 10.01 -85.17 3 3 2 30 312.885 8 ↓
Hi High (pH 8-9.5) 4.03 7.5 -43.24 2 3 1 29 311.877 8 ↓

Analogs

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Popular Name: N-[(1R)-1-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethyl]propan-1-amine N-[(1R)-1-[3-chloro-4-(2-pyrroli…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.03 10 -85.72 3 3 2 30 312.885 8 ↓
Hi High (pH 8-9.5) 4.03 7.51 -43.12 2 3 1 29 311.877 8 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine (1S)-1-[3-chloro-4-(2-pyrrolidin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.90 6.62 -90.01 4 3 2 41 270.804 5 ↓
Hi High (pH 8-9.5) 0.90 6.3 -34.14 3 3 1 40 269.796 5 ↓
Hi High (pH 8-9.5) 0.90 4.12 -49.4 3 3 1 40 269.796 5 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine (1R)-1-[3-chloro-4-(2-pyrrolidin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.90 6.62 -90.61 4 3 2 41 270.804 5 ↓
Hi High (pH 8-9.5) 0.90 6.3 -34.44 3 3 1 40 269.796 5 ↓
Hi High (pH 8-9.5) 0.90 4.12 -49.28 3 3 1 40 269.796 5 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methyl-ethanamine (1S)-1-[3-bromo-4-(2-pyrrolidin-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.28 8.52 -85.09 3 3 2 30 329.282 6 ↓
Hi High (pH 8-9.5) 3.28 6.01 -43.68 2 3 1 29 328.274 6 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methyl-ethanamine (1R)-1-[3-bromo-4-(2-pyrrolidin-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.28 8.51 -85.64 3 3 2 30 329.282 6 ↓
Hi High (pH 8-9.5) 3.28 6.01 -43.59 2 3 1 29 328.274 6 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethyl-ethanamine (1S)-1-[3-bromo-4-(2-pyrrolidin-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.66 9.36 -84.03 3 3 2 30 343.309 7 ↓
Hi High (pH 8-9.5) 3.66 6.86 -42.23 2 3 1 29 342.301 7 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethyl-ethanamine (1R)-1-[3-bromo-4-(2-pyrrolidin-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.66 9.35 -84.56 3 3 2 30 343.309 7 ↓
Hi High (pH 8-9.5) 3.66 6.86 -42.14 2 3 1 29 342.301 7 ↓

Analogs

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Popular Name: N-[(1S)-1-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethyl]propan-1-amine N-[(1S)-1-[3-bromo-4-(2-pyrrolid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.16 10.12 -85.25 3 3 2 30 357.336 8 ↓
Hi High (pH 8-9.5) 4.16 7.63 -43.09 2 3 1 29 356.328 8 ↓

Analogs

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Popular Name: N-[(1R)-1-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethyl]propan-1-amine N-[(1R)-1-[3-bromo-4-(2-pyrrolid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.16 10.12 -85.82 3 3 2 30 357.336 8 ↓
Hi High (pH 8-9.5) 4.16 7.62 -43.05 2 3 1 29 356.328 8 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine (1S)-1-[3-bromo-4-(2-pyrrolidin-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.03 6.74 -90.07 4 3 2 41 315.255 5 ↓
Hi High (pH 8-9.5) 1.03 6.41 -34.22 3 3 1 40 314.247 5 ↓
Hi High (pH 8-9.5) 1.03 4.23 -49.21 3 3 1 40 314.247 5 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine (1R)-1-[3-bromo-4-(2-pyrrolidin-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.03 6.74 -90.76 4 3 2 41 315.255 5 ↓
Hi High (pH 8-9.5) 1.03 6.41 -34.44 3 3 1 40 314.247 5 ↓
Hi High (pH 8-9.5) 1.03 4.24 -49.17 3 3 1 40 314.247 5 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.07 10.05 -39.59 1 4 1 40 377.686 7 ↓
Mid Mid (pH 6-8) 4.07 8.19 -10.08 0 4 0 39 376.678 7 ↓

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.07 10.08 -41.51 1 4 1 40 377.686 7 ↓
Mid Mid (pH 6-8) 4.07 8.17 -11.1 0 4 0 39 376.678 7 ↓

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Popular Name: ethyl ethyl

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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) 3.44 9.51 -38.82 1 4 1 40 343.241 7 ↓
Mid Mid (pH 6-8) 3.44 7.63 -10.45 0 4 0 39 342.233 7 ↓

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Popular Name: ethyl ethyl

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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) 3.44 9.52 -40.27 1 4 1 40 343.241 7 ↓
Mid Mid (pH 6-8) 3.44 7.62 -11.31 0 4 0 39 342.233 7 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.71 8.17 -38.29 1 5 1 49 294.371 8 ↓
Mid Mid (pH 6-8) 2.71 6.29 -11 0 5 0 48 293.363 8 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 2.71 7.99 -36.66 1 5 1 49 294.371 8 ↓
Mid Mid (pH 6-8) 2.71 5.64 -6.75 0 5 0 48 293.363 8 ↓

Analogs

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Popular Name: (1S)-1-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol (1S)-1-[2-(2-pyrrolidin-1-yletho…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.45 6.51 -35.61 2 3 1 34 250.362 6 ↓
Hi High (pH 8-9.5) 2.45 4 -4.91 1 3 0 33 249.354 6 ↓

Analogs

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Popular Name: (1R)-1-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol (1R)-1-[2-(2-pyrrolidin-1-yletho…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.45 6.51 -34.95 2 3 1 34 250.362 6 ↓
Hi High (pH 8-9.5) 2.45 4 -5.22 1 3 0 33 249.354 6 ↓

Analogs

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Popular Name: (1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol (1S)-1-[4-(2-pyrrolidin-1-yletho…

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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) 1.99 5.72 -35.51 2 3 1 34 236.335 5 ↓
Hi High (pH 8-9.5) 1.99 3.2 -5.27 1 3 0 33 235.327 5 ↓

Analogs

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Popular Name: (1R)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol (1R)-1-[4-(2-pyrrolidin-1-yletho…

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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) 1.99 5.68 -35.72 2 3 1 34 236.335 5 ↓
Hi High (pH 8-9.5) 1.99 3.17 -5.21 1 3 0 33 235.327 5 ↓

Analogs

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Popular Name: (1S)-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol (1S)-1-[3-methoxy-4-(2-pyrrolidi…

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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) 1.58 5.47 -35.41 2 4 1 43 266.361 6 ↓
Hi High (pH 8-9.5) 1.58 2.89 -8.2 1 4 0 42 265.353 6 ↓

Analogs

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Popular Name: (1R)-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol (1R)-1-[3-methoxy-4-(2-pyrrolidi…

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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) 1.58 5.43 -35.25 2 4 1 43 266.361 6 ↓
Hi High (pH 8-9.5) 1.58 2.85 -8.21 1 4 0 42 265.353 6 ↓

Analogs

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Popular Name: (1S)-1-[2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol (1S)-1-[2-(2-pyrrolidin-1-yletho…

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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) 1.94 5.7 -35.63 2 3 1 34 236.335 5 ↓
Hi High (pH 8-9.5) 1.94 3.11 -5.12 1 3 0 33 235.327 5 ↓

Analogs

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Popular Name: (1R)-1-[2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol (1R)-1-[2-(2-pyrrolidin-1-yletho…

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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) 1.94 5.69 -35.01 2 3 1 34 236.335 5 ↓
Hi High (pH 8-9.5) 1.94 3.09 -5.33 1 3 0 33 235.327 5 ↓

Analogs

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Popular Name: (2S)-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]butan-2-ol (2S)-4-[4-(2-pyrrolidin-1-yletho…

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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 7.16 -35.27 2 3 1 34 264.389 7 ↓
Hi High (pH 8-9.5) 2.86 4.72 -4.71 1 3 0 33 263.381 7 ↓

Analogs

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Popular Name: (2R)-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]butan-2-ol (2R)-4-[4-(2-pyrrolidin-1-yletho…

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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 7.16 -35.25 2 3 1 34 264.389 7 ↓
Hi High (pH 8-9.5) 2.86 4.72 -4.87 1 3 0 33 263.381 7 ↓

Analogs

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Popular Name: (1S)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol (1S)-1-[3-(2-pyrrolidin-1-yletho…

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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) 1.97 5.59 -34.9 2 3 1 34 236.335 5 ↓
Hi High (pH 8-9.5) 1.97 3 -5.6 1 3 0 33 235.327 5 ↓

Analogs

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Popular Name: (1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol (1R)-1-[3-(2-pyrrolidin-1-yletho…

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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) 1.97 5.55 -34.71 2 3 1 34 236.335 5 ↓
Hi High (pH 8-9.5) 1.97 2.96 -5.71 1 3 0 33 235.327 5 ↓

Analogs

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Popular Name: (1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol (1S)-1-[4-(2-pyrrolidin-1-yletho…

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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 6.55 -35.25 2 3 1 34 250.362 6 ↓
Hi High (pH 8-9.5) 2.49 4.12 -4.44 1 3 0 33 249.354 6 ↓

Analogs

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Popular Name: (1R)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol (1R)-1-[4-(2-pyrrolidin-1-yletho…

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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 6.4 -34.97 2 3 1 34 250.362 6 ↓
Hi High (pH 8-9.5) 2.49 3.9 -5.05 1 3 0 33 249.354 6 ↓

Analogs

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Popular Name: 1-[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone 1-[5-methyl-2-(2-pyrrolidin-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) 2.70 9.65 -32.45 1 3 1 31 248.346 5 ↓
Hi High (pH 8-9.5) 2.70 7.14 -10.31 0 3 0 30 247.338 5 ↓

Analogs

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Popular Name: (1R)-1-[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol (1R)-1-[5-methyl-2-(2-pyrrolidin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 6.38 -37.67 2 3 1 34 250.362 5 ↓
Hi High (pH 8-9.5) 2.37 4.06 -4.56 1 3 0 33 249.354 5 ↓

Analogs

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Popular Name: (1S)-1-[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol (1S)-1-[5-methyl-2-(2-pyrrolidin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 6.27 -37.37 2 3 1 34 250.362 5 ↓
Hi High (pH 8-9.5) 2.37 3.87 -5.07 1 3 0 33 249.354 5 ↓

Analogs

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Popular Name: 2-amino-5-(2-pyrrolidin-1-ylethoxy)benzoic 2-amino-5-(2-pyrrolidin-1-yletho…

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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) 1.93 6.08 -65.71 3 5 0 80 250.298 5 ↓
Hi High (pH 8-9.5) 1.93 3.66 -49.54 2 5 -1 79 249.29 5 ↓
Lo Low (pH 4.5-6) 1.93 5.94 -73.89 4 5 1 81 251.306 5 ↓

Analogs

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Popular Name: 5-chloro-2-(2-pyrrolidin-1-ylethoxy)benzamidine 5-chloro-2-(2-pyrrolidin-1-yleth…

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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 5.44 -91.13 5 4 2 65 269.776 5 ↓
Hi High (pH 8-9.5) 1.42 2.92 -29.03 4 4 1 64 268.768 5 ↓

Analogs

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Popular Name: 5-chloro-N'-hydroxy-2-(2-pyrrolidin-1-ylethoxy)benzamidine 5-chloro-N'-hydroxy-2-(2-pyrroli…

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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) 1.35 4.34 -41.57 4 5 1 72 284.767 5 ↓
Hi High (pH 8-9.5) 1.35 1.83 -8.03 3 5 0 71 283.759 5 ↓

Analogs

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Popular Name: [2-chloro-6-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine [2-chloro-6-(2-pyrrolidin-1-ylet…

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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) 2.19 5.82 -97.41 4 3 2 41 256.777 5 ↓
Hi High (pH 8-9.5) 2.19 3.32 -35.06 3 3 1 40 255.769 5 ↓
Hi High (pH 8-9.5) 2.19 2.92 -4.38 2 3 0 38 254.761 5 ↓

Analogs

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Popular Name: 2-chloro-6-(2-pyrrolidin-1-ylethoxy)benzamidine 2-chloro-6-(2-pyrrolidin-1-yleth…

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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 5.13 -86.75 5 4 2 65 269.776 5 ↓
Hi High (pH 8-9.5) 1.40 2.62 -25.86 4 4 1 64 268.768 5 ↓

Analogs

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Popular Name: 2-chloro-N'-hydroxy-6-(2-pyrrolidin-1-ylethoxy)benzamidine 2-chloro-N'-hydroxy-6-(2-pyrroli…

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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 3.99 -40.09 4 5 1 72 284.767 5 ↓
Hi High (pH 8-9.5) 1.32 1.49 -9 3 5 0 71 283.759 5 ↓

Analogs

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Popular Name: 2-chloro-6-(2-pyrrolidin-1-ylethoxy)benzenecarbothioamide 2-chloro-6-(2-pyrrolidin-1-yleth…

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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) 2.81 7 -45.85 3 3 1 40 285.82 5 ↓
Hi High (pH 8-9.5) 2.81 4.48 -13.28 2 3 0 38 284.812 5 ↓

Analogs

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Popular Name: 2-chloro-6-(2-pyrrolidin-1-ylethoxy)benzonitrile 2-chloro-6-(2-pyrrolidin-1-yleth…

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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 8.15 -40.88 1 3 1 37 251.737 4 ↓
Hi High (pH 8-9.5) 2.76 5.65 -10.57 0 3 0 36 250.729 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[(3S)-1-(2-phenoxyethyl)pyrrolidin-3-yl]methyl]propan-2-amine 2-methyl-N-[[(3S)-1-(2-phenoxyet…

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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 6.59 -36.21 2 3 1 29 277.432 7 ↓
Mid Mid (pH 6-8) 3.50 9.09 -100.52 3 3 2 30 278.44 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[(3R)-1-(2-phenoxyethyl)pyrrolidin-3-yl]methyl]propan-2-amine 2-methyl-N-[[(3R)-1-(2-phenoxyet…

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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 6.49 -37.94 2 3 1 29 277.432 7 ↓
Mid Mid (pH 6-8) 3.50 8.91 -99.88 3 3 2 30 278.44 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[(3S)-1-(2-phenoxyethyl)pyrrolidin-3-yl]methyl]propan-1-amine 2-methyl-N-[[(3S)-1-(2-phenoxyet…

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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) 3.08 7.09 -39.72 2 3 1 29 277.432 8 ↓
Mid Mid (pH 6-8) 3.08 9.58 -104.53 3 3 2 30 278.44 8 ↓

Parameters Provided:

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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 = 3824 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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