UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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) 3.91 4.47 -47.64 1 4 1 39 346.369 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) 3.46 2.62 -42.82 1 4 1 39 292.399 7 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-[2-(1-piperidyl)ethoxy]phenyl]-N-methyl-ethanamine (1S)-1-[3-chloro-4-[2-(1-piperid…

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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 9.14 -85.55 3 3 2 30 298.858 6 ↓
Hi High (pH 8-9.5) 3.66 6.91 -43.44 2 3 1 29 297.85 6 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-[2-(1-piperidyl)ethoxy]phenyl]-N-methyl-ethanamine (1R)-1-[3-chloro-4-[2-(1-piperid…

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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 9.13 -86.08 3 3 2 30 298.858 6 ↓
Hi High (pH 8-9.5) 3.66 6.92 -43.28 2 3 1 29 297.85 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-chloro-4-[2-(1-piperidyl)ethoxy]phenyl]-N-ethyl-ethanamine (1S)-1-[3-chloro-4-[2-(1-piperid…

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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 9.98 -84.52 3 3 2 30 312.885 7 ↓
Hi High (pH 8-9.5) 4.03 7.76 -41.93 2 3 1 29 311.877 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-chloro-4-[2-(1-piperidyl)ethoxy]phenyl]-N-ethyl-ethanamine (1R)-1-[3-chloro-4-[2-(1-piperid…

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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 9.97 -84.96 3 3 2 30 312.885 7 ↓
Hi High (pH 8-9.5) 4.03 7.76 -41.91 2 3 1 29 311.877 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-chloro-4-[2-(1-piperidyl)ethoxy]phenyl]ethanamine (1S)-1-[3-chloro-4-[2-(1-piperid…

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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 7.36 -90.55 4 3 2 41 284.831 5 ↓
Hi High (pH 8-9.5) 1.40 7.04 -34.61 3 3 1 40 283.823 5 ↓
Hi High (pH 8-9.5) 1.40 5.14 -49 3 3 1 40 283.823 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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) 4.37 3.38 -43.49 1 4 1 39 334.48 9 ↓

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) 4.37 3.38 -43.51 1 4 1 39 334.48 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-chloro-4-[2-(1-piperidyl)ethoxy]phenyl]ethanamine (1R)-1-[3-chloro-4-[2-(1-piperid…

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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 7.36 -91.17 4 3 2 41 284.831 5 ↓
Hi High (pH 8-9.5) 1.40 7.04 -34.85 3 3 1 40 283.823 5 ↓
Hi High (pH 8-9.5) 1.40 5.15 -48.89 3 3 1 40 283.823 5 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-[2-(1-piperidyl)ethoxy]phenyl]-N-methyl-ethanamine (1S)-1-[3-bromo-4-[2-(1-piperidy…

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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) 3.79 9.24 -85.71 3 3 2 30 343.309 6 ↓
Hi High (pH 8-9.5) 3.79 7.05 -43.3 2 3 1 29 342.301 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-bromo-4-[2-(1-piperidyl)ethoxy]phenyl]-N-methyl-ethanamine (1R)-1-[3-bromo-4-[2-(1-piperidy…

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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) 3.79 9.24 -86.16 3 3 2 30 343.309 6 ↓
Hi High (pH 8-9.5) 3.79 7.04 -43.25 2 3 1 29 342.301 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-bromo-4-[2-(1-piperidyl)ethoxy]phenyl]-N-ethyl-ethanamine (1S)-1-[3-bromo-4-[2-(1-piperidy…

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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 10.09 -84.58 3 3 2 30 357.336 7 ↓
Hi High (pH 8-9.5) 4.16 7.89 -41.84 2 3 1 29 356.328 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-bromo-4-[2-(1-piperidyl)ethoxy]phenyl]-N-ethyl-ethanamine (1R)-1-[3-bromo-4-[2-(1-piperidy…

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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 10.09 -85.12 3 3 2 30 357.336 7 ↓
Hi High (pH 8-9.5) 4.16 7.89 -41.74 2 3 1 29 356.328 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[3-bromo-4-[2-(1-piperidyl)ethoxy]phenyl]ethanamine (1S)-1-[3-bromo-4-[2-(1-piperidy…

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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) 1.53 7.47 -90.69 4 3 2 41 329.282 5 ↓
Hi High (pH 8-9.5) 1.53 5.27 -48.85 3 3 1 40 328.274 5 ↓
Hi High (pH 8-9.5) 1.53 7.15 -34.57 3 3 1 40 328.274 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-bromo-4-[2-(1-piperidyl)ethoxy]phenyl]ethanamine (1R)-1-[3-bromo-4-[2-(1-piperidy…

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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) 1.53 7.47 -91.21 4 3 2 41 329.282 5 ↓
Hi High (pH 8-9.5) 1.53 7.15 -34.87 3 3 1 40 328.274 5 ↓
Hi High (pH 8-9.5) 1.53 5.27 -48.73 3 3 1 40 328.274 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) 3.90 2.85 -43.41 1 4 1 39 306.426 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) 3.81 3.33 -43.91 1 4 1 39 318.437 9 ↓

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) 3.97 2.39 -45.22 1 5 1 49 336.452 10 ↓

Analogs

35017958
35017958

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Popular Name: (3S)-1-[2-(2-acetylphenoxy)ethyl]piperidine-3-carboxamide (3S)-1-[2-(2-acetylphenoxy)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) 1.38 6.41 -37.11 3 5 1 74 291.371 6 ↓
Hi High (pH 8-9.5) 1.38 4.12 -14.39 2 5 0 73 290.363 6 ↓

Analogs

35017957
35017957

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Popular Name: (3R)-1-[2-(2-acetylphenoxy)ethyl]piperidine-3-carboxamide (3R)-1-[2-(2-acetylphenoxy)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) 1.38 6.41 -38.14 3 5 1 74 291.371 6 ↓
Hi High (pH 8-9.5) 1.38 4.06 -15.62 2 5 0 73 290.363 6 ↓

Analogs

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Popular Name: (1S)-1-[2-[2-(1-piperidyl)ethoxy]phenyl]propan-1-ol (1S)-1-[2-[2-(1-piperidyl)ethoxy…

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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) 2.95 7.25 -35.97 2 3 1 34 264.389 6 ↓
Hi High (pH 8-9.5) 2.95 5.04 -4.61 1 3 0 33 263.381 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-[2-(1-piperidyl)ethoxy]phenyl]propan-1-ol (1R)-1-[2-[2-(1-piperidyl)ethoxy…

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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) 2.95 7.25 -35.39 2 3 1 34 264.389 6 ↓
Hi High (pH 8-9.5) 2.95 5.04 -4.81 1 3 0 33 263.381 6 ↓

Analogs

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Popular Name: (1S)-1-[4-[2-(1-piperidyl)ethoxy]phenyl]ethanol (1S)-1-[4-[2-(1-piperidyl)ethoxy…

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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) 2.50 6.32 -35.24 2 3 1 34 250.362 5 ↓
Hi High (pH 8-9.5) 2.50 4.12 -5.02 1 3 0 33 249.354 5 ↓

Analogs

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Popular Name: (1R)-1-[4-[2-(1-piperidyl)ethoxy]phenyl]ethanol (1R)-1-[4-[2-(1-piperidyl)ethoxy…

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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) 2.50 6.29 -35.38 2 3 1 34 250.362 5 ↓
Hi High (pH 8-9.5) 2.50 4.09 -4.97 1 3 0 33 249.354 5 ↓

Analogs

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Popular Name: (1S)-1-[3-methoxy-4-[2-(1-piperidyl)ethoxy]phenyl]ethanol (1S)-1-[3-methoxy-4-[2-(1-piperi…

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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) 2.09 6.19 -35.78 2 4 1 43 280.388 6 ↓
Hi High (pH 8-9.5) 2.09 4 -7.62 1 4 0 42 279.38 6 ↓

Analogs

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Popular Name: (1R)-1-[3-methoxy-4-[2-(1-piperidyl)ethoxy]phenyl]ethanol (1R)-1-[3-methoxy-4-[2-(1-piperi…

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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) 2.09 6.17 -35.67 2 4 1 43 280.388 6 ↓
Hi High (pH 8-9.5) 2.09 3.97 -7.78 1 4 0 42 279.38 6 ↓

Analogs

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Popular Name: (1S)-1-[2-[2-(1-piperidyl)ethoxy]phenyl]ethanol (1S)-1-[2-[2-(1-piperidyl)ethoxy…

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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 6.34 -36.61 2 3 1 34 250.362 5 ↓
Hi High (pH 8-9.5) 2.45 4.23 -4.78 1 3 0 33 249.354 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-[2-(1-piperidyl)ethoxy]phenyl]ethanol (1R)-1-[2-[2-(1-piperidyl)ethoxy…

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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 6.33 -36.61 2 3 1 34 250.362 5 ↓
Hi High (pH 8-9.5) 2.45 4.22 -5.01 1 3 0 33 249.354 5 ↓

Analogs

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Popular Name: (2S)-4-[4-[2-(1-piperidyl)ethoxy]phenyl]butan-2-ol (2S)-4-[4-[2-(1-piperidyl)ethoxy…

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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) 3.36 7.76 -34.93 2 3 1 34 278.416 7 ↓
Hi High (pH 8-9.5) 3.36 5.56 -4.76 1 3 0 33 277.408 7 ↓

Analogs

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Popular Name: (2R)-4-[4-[2-(1-piperidyl)ethoxy]phenyl]butan-2-ol (2R)-4-[4-[2-(1-piperidyl)ethoxy…

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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) 3.36 7.76 -34.93 2 3 1 34 278.416 7 ↓
Hi High (pH 8-9.5) 3.36 5.56 -4.78 1 3 0 33 277.408 7 ↓

Analogs

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Popular Name: (1S)-1-[3-[2-(1-piperidyl)ethoxy]phenyl]ethanol (1S)-1-[3-[2-(1-piperidyl)ethoxy…

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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 6.33 -35.26 2 3 1 34 250.362 5 ↓
Hi High (pH 8-9.5) 2.47 4.12 -5.19 1 3 0 33 249.354 5 ↓

Analogs

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Popular Name: (1R)-1-[3-[2-(1-piperidyl)ethoxy]phenyl]ethanol (1R)-1-[3-[2-(1-piperidyl)ethoxy…

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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 6.28 -35.02 2 3 1 34 250.362 5 ↓
Hi High (pH 8-9.5) 2.47 4.08 -5.3 1 3 0 33 249.354 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[4-[2-(1-piperidyl)ethoxy]phenyl]propan-1-ol (1S)-1-[4-[2-(1-piperidyl)ethoxy…

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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) 3.00 7.16 -35.12 2 3 1 34 264.389 6 ↓
Hi High (pH 8-9.5) 3.00 4.96 -4.77 1 3 0 33 263.381 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[4-[2-(1-piperidyl)ethoxy]phenyl]propan-1-ol (1R)-1-[4-[2-(1-piperidyl)ethoxy…

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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) 3.00 7.14 -35.23 2 3 1 34 264.389 6 ↓
Hi High (pH 8-9.5) 3.00 4.93 -4.73 1 3 0 33 263.381 6 ↓

Analogs

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Popular Name: 1-[5-methyl-2-[2-(1-piperidyl)ethoxy]phenyl]ethanone 1-[5-methyl-2-[2-(1-piperidyl)et…

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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) 3.21 10.38 -32.72 1 3 1 31 262.373 5 ↓
Hi High (pH 8-9.5) 3.21 8.26 -9.96 0 3 0 30 261.365 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[5-methyl-2-[2-(1-piperidyl)ethoxy]phenyl]ethanol (1R)-1-[5-methyl-2-[2-(1-piperid…

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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) 2.87 7.1 -35.29 2 3 1 34 264.389 5 ↓
Hi High (pH 8-9.5) 2.87 4.89 -5 1 3 0 33 263.381 5 ↓

Analogs

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Popular Name: (1S)-1-[5-methyl-2-[2-(1-piperidyl)ethoxy]phenyl]ethanol (1S)-1-[5-methyl-2-[2-(1-piperid…

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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) 2.87 7.11 -35.87 2 3 1 34 264.389 5 ↓
Hi High (pH 8-9.5) 2.87 4.9 -4.71 1 3 0 33 263.381 5 ↓

Analogs

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Popular Name: 5-nitro-2-[2-(1-piperidyl)ethoxy]aniline 5-nitro-2-[2-(1-piperidyl)ethoxy…

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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 6.76 -46.19 3 6 1 86 266.321 5 ↓
Hi High (pH 8-9.5) 2.30 4.55 -6.65 2 6 0 84 265.313 5 ↓

Analogs

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Popular Name: 5-chloro-2-[2-(1-piperidyl)ethoxy]benzamidine 5-chloro-2-[2-(1-piperidyl)ethox…

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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) 1.92 6.17 -91.92 5 4 2 65 283.803 5 ↓
Hi High (pH 8-9.5) 1.92 3.91 -29.62 4 4 1 64 282.795 5 ↓

Analogs

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Popular Name: 5-chloro-N'-hydroxy-2-[2-(1-piperidyl)ethoxy]benzamidine 5-chloro-N'-hydroxy-2-[2-(1-pipe…

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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) 1.85 5.1 -42.46 4 5 1 72 298.794 5 ↓
Hi High (pH 8-9.5) 1.85 2.84 -7.91 3 5 0 71 297.786 5 ↓

Analogs

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Popular Name: [2-chloro-6-[2-(1-piperidyl)ethoxy]phenyl]methanamine [2-chloro-6-[2-(1-piperidyl)etho…

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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 6.56 -98.66 4 3 2 41 270.804 5 ↓
Hi High (pH 8-9.5) 2.70 3.95 -4.1 2 3 0 38 268.788 5 ↓
Hi High (pH 8-9.5) 2.70 6.15 -37.81 3 3 1 40 269.796 5 ↓

Analogs

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Popular Name: 2-chloro-6-[2-(1-piperidyl)ethoxy]benzamidine 2-chloro-6-[2-(1-piperidyl)ethox…

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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) 1.90 5.86 -87.74 5 4 2 65 283.803 5 ↓
Hi High (pH 8-9.5) 1.90 3.64 -26.26 4 4 1 64 282.795 5 ↓

Analogs

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Popular Name: 2-chloro-N'-hydroxy-6-[2-(1-piperidyl)ethoxy]benzamidine 2-chloro-N'-hydroxy-6-[2-(1-pipe…

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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 4.72 -40.25 4 5 1 72 298.794 5 ↓
Hi High (pH 8-9.5) 1.83 2.51 -8.56 3 5 0 71 297.786 5 ↓

Analogs

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Popular Name: 2-chloro-6-[2-(1-piperidyl)ethoxy]benzenecarbothioamide 2-chloro-6-[2-(1-piperidyl)ethox…

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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) 3.31 7.73 -44.81 3 3 1 40 299.847 5 ↓
Hi High (pH 8-9.5) 3.31 5.47 -14.13 2 3 0 38 298.839 5 ↓

Analogs

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Popular Name: 2-chloro-6-[2-(1-piperidyl)ethoxy]benzonitrile 2-chloro-6-[2-(1-piperidyl)ethox…

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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) 3.27 8.88 -41.48 1 3 1 37 265.764 4 ↓
Hi High (pH 8-9.5) 3.27 6.68 -10.24 0 3 0 36 264.756 4 ↓

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Popular Name: tert-butyl tert-butyl

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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) 4.65 7.75 -41.4 2 6 1 61 351.467 8 ↓

Analogs

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Popular Name: 3-bromo-5-chloro-2-[2-(1-piperidyl)ethoxy]benzonitrile 3-bromo-5-chloro-2-[2-(1-piperid…

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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 1.93 -33.1 1 3 1 37 344.66 4 ↓

Analogs

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Popular Name: 2-cyano-N-[[3-[2-(1-piperidyl)ethoxy]phenyl]methyl]acetamide 2-cyano-N-[[3-[2-(1-piperidyl)et…

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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 0.48 -49.39 2 5 1 67 302.398 7 ↓

Analogs

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Popular Name: (Z)-2-cyano-3-[2-[2-(1-piperidyl)ethoxy]phenyl]prop-2-enoic (Z)-2-cyano-3-[2-[2-(1-piperidyl…

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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) 2.40 2.45 -66.96 1 5 0 78 300.358 6 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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