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

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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) 4.62 8.34 -43.1 2 2 1 26 268.808 4 ↓
Hi High (pH 8-9.5) 4.62 7.17 -2.78 1 2 0 21 267.8 4 ↓

Analogs

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

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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) 4.62 8.34 -43.22 2 2 1 26 268.808 4 ↓
Hi High (pH 8-9.5) 4.62 7.17 -3.59 1 2 0 21 267.8 4 ↓

Analogs

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

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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) 5.00 9.18 -41.7 2 2 1 26 282.835 5 ↓

Analogs

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

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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) 5.00 9.18 -41.77 2 2 1 26 282.835 5 ↓

Analogs

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

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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 6.57 -48.77 3 2 1 37 254.781 3 ↓
Hi High (pH 8-9.5) 2.37 6.24 -3.47 2 2 0 35 253.773 3 ↓

Analogs

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

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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 6.57 -48.79 3 2 1 37 254.781 3 ↓
Hi High (pH 8-9.5) 2.37 6.24 -3.96 2 2 0 35 253.773 3 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(cyclohexoxy)phenyl]-N-methyl-ethanamine (1S)-1-[3-bromo-4-(cyclohexoxy)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) 4.75 8.45 -43.05 2 2 1 26 313.259 4 ↓
Hi High (pH 8-9.5) 4.75 7.28 -2.59 1 2 0 21 312.251 4 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(cyclohexoxy)phenyl]-N-methyl-ethanamine (1R)-1-[3-bromo-4-(cyclohexoxy)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) 4.75 8.46 -43.04 2 2 1 26 313.259 4 ↓
Hi High (pH 8-9.5) 4.75 7.28 -3.41 1 2 0 21 312.251 4 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(cyclohexoxy)phenyl]ethanamine (1S)-1-[3-bromo-4-(cyclohexoxy)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) 2.50 6.68 -48.7 3 2 1 37 299.232 3 ↓
Hi High (pH 8-9.5) 2.50 6.35 -3.8 2 2 0 35 298.224 3 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(cyclohexoxy)phenyl]ethanamine (1R)-1-[3-bromo-4-(cyclohexoxy)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) 2.50 6.68 -48.7 3 2 1 37 299.232 3 ↓
Hi High (pH 8-9.5) 2.50 6.35 -3.39 2 2 0 35 298.224 3 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-[(1S,2R)-2-methylcyclohexoxy]phenyl]-N-methyl-ethanamine (1R)-1-[3-chloro-4-[(1S,2R)-2-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) 4.87 9.08 -40.03 2 2 1 26 282.835 4 ↓
Hi High (pH 8-9.5) 4.87 7.91 -3.76 1 2 0 21 281.827 4 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-[(1S,2S)-2-methylcyclohexoxy]phenyl]-N-methyl-ethanamine (1R)-1-[3-chloro-4-[(1S,2S)-2-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) 4.87 8.98 -40.45 2 2 1 26 282.835 4 ↓
Hi High (pH 8-9.5) 4.87 7.81 -3.58 1 2 0 21 281.827 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-chloro-4-[(1R,2R)-2-methylcyclohexoxy]phenyl]-N-methyl-ethanamine (1R)-1-[3-chloro-4-[(1R,2R)-2-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) 4.87 9 -40.5 2 2 1 26 282.835 4 ↓
Hi High (pH 8-9.5) 4.87 7.82 -3.55 1 2 0 21 281.827 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-chloro-4-[(1R,2S)-2-methylcyclohexoxy]phenyl]-N-methyl-ethanamine (1R)-1-[3-chloro-4-[(1R,2S)-2-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) 4.87 9.1 -40.08 2 2 1 26 282.835 4 ↓
Hi High (pH 8-9.5) 4.87 7.92 -3.71 1 2 0 21 281.827 4 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-[(1S,2R)-2-methylcyclohexoxy]phenyl]ethanamine (1R)-1-[3-chloro-4-[(1S,2R)-2-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) 2.61 7.32 -45.36 3 2 1 37 268.808 3 ↓
Hi High (pH 8-9.5) 2.61 7.02 -3.9 2 2 0 35 267.8 3 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-[(1S,2S)-2-methylcyclohexoxy]phenyl]ethanamine (1R)-1-[3-chloro-4-[(1S,2S)-2-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) 2.61 7.22 -45.84 3 2 1 37 268.808 3 ↓
Hi High (pH 8-9.5) 2.61 6.92 -3.69 2 2 0 35 267.8 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-chloro-4-[(1R,2R)-2-methylcyclohexoxy]phenyl]ethanamine (1R)-1-[3-chloro-4-[(1R,2R)-2-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) 2.61 7.22 -45.89 3 2 1 37 268.808 3 ↓
Hi High (pH 8-9.5) 2.61 6.92 -3.69 2 2 0 35 267.8 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-chloro-4-[(1R,2S)-2-methylcyclohexoxy]phenyl]ethanamine (1R)-1-[3-chloro-4-[(1R,2S)-2-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) 2.61 7.32 -45.5 3 2 1 37 268.808 3 ↓
Hi High (pH 8-9.5) 2.61 7.02 -3.91 2 2 0 35 267.8 3 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-[(1S,2R)-2-methylcyclohexoxy]phenyl]ethanamine (1R)-1-[3-bromo-4-[(1S,2R)-2-met…

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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) 2.74 7.43 -45.14 3 2 1 37 313.259 3 ↓
Hi High (pH 8-9.5) 2.74 7.13 -3.67 2 2 0 35 312.251 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-bromo-4-[(1S,2S)-2-methylcyclohexoxy]phenyl]ethanamine (1R)-1-[3-bromo-4-[(1S,2S)-2-met…

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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) 2.74 7.34 -45.66 3 2 1 37 313.259 3 ↓
Hi High (pH 8-9.5) 2.74 7.04 -3.53 2 2 0 35 312.251 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-bromo-4-[(1R,2R)-2-methylcyclohexoxy]phenyl]ethanamine (1R)-1-[3-bromo-4-[(1R,2R)-2-met…

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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) 2.74 7.34 -45.62 3 2 1 37 313.259 3 ↓
Hi High (pH 8-9.5) 2.74 7.04 -3.54 2 2 0 35 312.251 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-bromo-4-[(1R,2S)-2-methylcyclohexoxy]phenyl]ethanamine (1R)-1-[3-bromo-4-[(1R,2S)-2-met…

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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) 2.74 7.43 -45.17 3 2 1 37 313.259 3 ↓
Hi High (pH 8-9.5) 2.74 7.13 -3.67 2 2 0 35 312.251 3 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(4-methylcyclohexoxy)phenyl]-N-methyl-ethanamine (1R)-1-[3-chloro-4-(4-methylcycl…

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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) 4.39 8.96 -40.76 2 2 1 26 282.835 4 ↓
Hi High (pH 8-9.5) 4.39 7.78 -3.62 1 2 0 21 281.827 4 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(4-methylcyclohexoxy)phenyl]-N-methyl-ethanamine (1S)-1-[3-chloro-4-(4-methylcycl…

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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) 4.39 9.04 -40.29 2 2 1 26 282.835 4 ↓
Hi High (pH 8-9.5) 4.39 7.86 -3.48 1 2 0 21 281.827 4 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(4-methylcyclohexoxy)phenyl]ethanamine (1R)-1-[3-chloro-4-(4-methylcycl…

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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) 2.14 7.26 -45.76 3 2 1 37 268.808 3 ↓
Hi High (pH 8-9.5) 2.14 6.93 -3.7 2 2 0 35 267.8 3 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(4-methylcyclohexoxy)phenyl]ethanamine (1S)-1-[3-chloro-4-(4-methylcycl…

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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) 2.14 7.26 -45.65 3 2 1 37 268.808 3 ↓
Hi High (pH 8-9.5) 2.14 6.93 -4.21 2 2 0 35 267.8 3 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(4-methylcyclohexoxy)phenyl]ethanamine (1R)-1-[3-bromo-4-(4-methylcyclo…

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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) 2.27 7.37 -45.5 3 2 1 37 313.259 3 ↓
Hi High (pH 8-9.5) 2.27 7.05 -4.06 2 2 0 35 312.251 3 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(4-methylcyclohexoxy)phenyl]ethanamine (1S)-1-[3-bromo-4-(4-methylcyclo…

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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) 2.27 7.37 -45.37 3 2 1 37 313.259 3 ↓
Hi High (pH 8-9.5) 2.27 7.05 -3.56 2 2 0 35 312.251 3 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-[(1S,3R)-3-methylcyclohexoxy]phenyl]-N-methyl-ethanamine (1R)-1-[3-chloro-4-[(1S,3R)-3-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) 4.63 8.95 -40.72 2 2 1 26 282.835 4 ↓
Hi High (pH 8-9.5) 4.63 7.78 -3.7 1 2 0 21 281.827 4 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-[(1S,3S)-3-methylcyclohexoxy]phenyl]-N-methyl-ethanamine (1R)-1-[3-chloro-4-[(1S,3S)-3-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) 4.63 9.04 -40.34 2 2 1 26 282.835 4 ↓
Hi High (pH 8-9.5) 4.63 7.87 -3.96 1 2 0 21 281.827 4 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-[(1R,3R)-3-methylcyclohexoxy]phenyl]-N-methyl-ethanamine (1R)-1-[3-chloro-4-[(1R,3R)-3-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) 4.63 9.05 -40.4 2 2 1 26 282.835 4 ↓
Hi High (pH 8-9.5) 4.63 7.87 -3.9 1 2 0 21 281.827 4 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-[(1R,3S)-3-methylcyclohexoxy]phenyl]-N-methyl-ethanamine (1R)-1-[3-chloro-4-[(1R,3S)-3-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) 4.63 8.95 -40.81 2 2 1 26 282.835 4 ↓
Hi High (pH 8-9.5) 4.63 7.78 -3.65 1 2 0 21 281.827 4 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-[(1S,3R)-3-methylcyclohexoxy]phenyl]ethanamine (1R)-1-[3-chloro-4-[(1S,3R)-3-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) 2.38 7.18 -46.11 3 2 1 37 268.808 3 ↓
Hi High (pH 8-9.5) 2.38 6.88 -3.77 2 2 0 35 267.8 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-chloro-4-[(1S,3S)-3-methylcyclohexoxy]phenyl]ethanamine (1R)-1-[3-chloro-4-[(1S,3S)-3-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) 2.38 7.27 -45.64 3 2 1 37 268.808 3 ↓
Hi High (pH 8-9.5) 2.38 6.97 -3.99 2 2 0 35 267.8 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-chloro-4-[(1R,3R)-3-methylcyclohexoxy]phenyl]ethanamine (1R)-1-[3-chloro-4-[(1R,3R)-3-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) 2.38 7.27 -45.75 3 2 1 37 268.808 3 ↓
Hi High (pH 8-9.5) 2.38 6.97 -4.05 2 2 0 35 267.8 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-chloro-4-[(1R,3S)-3-methylcyclohexoxy]phenyl]ethanamine (1R)-1-[3-chloro-4-[(1R,3S)-3-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) 2.38 7.18 -46.22 3 2 1 37 268.808 3 ↓
Hi High (pH 8-9.5) 2.38 6.88 -3.79 2 2 0 35 267.8 3 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-[(1S,3R)-3-methylcyclohexoxy]phenyl]ethanamine (1R)-1-[3-bromo-4-[(1S,3R)-3-met…

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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) 2.51 7.29 -45.87 3 2 1 37 313.259 3 ↓
Hi High (pH 8-9.5) 2.51 6.99 -3.64 2 2 0 35 312.251 3 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-[(1S,3S)-3-methylcyclohexoxy]phenyl]ethanamine (1R)-1-[3-bromo-4-[(1S,3S)-3-met…

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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) 2.51 7.38 -45.45 3 2 1 37 313.259 3 ↓
Hi High (pH 8-9.5) 2.51 7.08 -3.93 2 2 0 35 312.251 3 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-[(1R,3R)-3-methylcyclohexoxy]phenyl]ethanamine (1R)-1-[3-bromo-4-[(1R,3R)-3-met…

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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) 2.51 7.38 -45.49 3 2 1 37 313.259 3 ↓
Hi High (pH 8-9.5) 2.51 7.08 -3.95 2 2 0 35 312.251 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[3-bromo-4-[(1R,3S)-3-methylcyclohexoxy]phenyl]ethanamine (1R)-1-[3-bromo-4-[(1R,3S)-3-met…

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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) 2.51 7.29 -45.99 3 2 1 37 313.259 3 ↓
Hi High (pH 8-9.5) 2.51 6.99 -3.64 2 2 0 35 312.251 3 ↓

Analogs

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Popular Name: 4-(4-methyl-3-nitro-phenoxy)cyclohexanamine 4-(4-methyl-3-nitro-phenoxy)cycl…

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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) 2.12 5.91 -48.54 3 5 1 83 251.306 3 ↓

Analogs

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Popular Name: (1S)-1-[2-(cyclohexoxy)phenyl]propan-1-ol (1S)-1-[2-(cyclohexoxy)phenyl]pr…

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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) 3.92 6.46 -3.95 1 2 0 29 234.339 4 ↓

Analogs

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Popular Name: (1R)-1-[2-(cyclohexoxy)phenyl]propan-1-ol (1R)-1-[2-(cyclohexoxy)phenyl]pr…

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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) 3.92 6.46 -4.1 1 2 0 29 234.339 4 ↓

Analogs

38812385
38812385

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Popular Name: (1S)-1-[4-(cyclohexoxy)phenyl]ethanol (1S)-1-[4-(cyclohexoxy)phenyl]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) 3.46 5.53 -4.19 1 2 0 29 220.312 3 ↓

Analogs

38812385
38812385

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Popular Name: (1R)-1-[4-(cyclohexoxy)phenyl]ethanol (1R)-1-[4-(cyclohexoxy)phenyl]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) 3.46 5.5 -4.21 1 2 0 29 220.312 3 ↓

Analogs

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Popular Name: (1S)-1-[4-(cyclohexoxy)-3-methoxy-phenyl]ethanol (1S)-1-[4-(cyclohexoxy)-3-methox…

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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) 3.05 5.42 -6.85 1 3 0 39 250.338 4 ↓

Analogs

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Popular Name: (1R)-1-[4-(cyclohexoxy)-3-methoxy-phenyl]ethanol (1R)-1-[4-(cyclohexoxy)-3-methox…

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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) 3.05 5.39 -6.82 1 3 0 39 250.338 4 ↓

Analogs

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Popular Name: (1S)-1-[2-(cyclohexoxy)phenyl]ethanol (1S)-1-[2-(cyclohexoxy)phenyl]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) 3.42 5.64 -4.11 1 2 0 29 220.312 3 ↓

Analogs

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Popular Name: (1R)-1-[2-(cyclohexoxy)phenyl]ethanol (1R)-1-[2-(cyclohexoxy)phenyl]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) 3.42 5.63 -4.22 1 2 0 29 220.312 3 ↓

Analogs

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Popular Name: (2S)-4-[4-(cyclohexoxy)phenyl]butan-2-ol (2S)-4-[4-(cyclohexoxy)phenyl]bu…

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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) 4.33 6.97 -4.08 1 2 0 29 248.366 5 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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