UCSF
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Analogs

2020263
2020263

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Popular Name: Clofop Clofop

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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) 4.04 1.66 -46.39 0 4 -1 58 291.71 5 ↓

Analogs

402909
402909
40563795
40563795

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Popular Name: Fenoprofen Fenoprofen

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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) 3.89 9.17 -46.28 0 3 -1 49 241.266 4 ↓
Hi High (pH 8-9.5) 2.51 6.33 -38.21 6 8 1 134 398.45 4 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(3-ethoxyphenoxy)phenyl]ethanol (1R)-1-[3-chloro-4-(3-ethoxyphen…

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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) 4.27 6.35 -7.27 1 3 0 39 292.762 5 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(3-ethoxyphenoxy)phenyl]ethanol (1S)-1-[3-chloro-4-(3-ethoxyphen…

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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) 4.27 6.37 -7.12 1 3 0 39 292.762 5 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(3-ethoxyphenoxy)phenyl]ethanol (1R)-1-[3-bromo-4-(3-ethoxypheno…

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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) 4.40 6.46 -7.2 1 3 0 39 337.213 5 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(3-ethoxyphenoxy)phenyl]ethanol (1S)-1-[3-bromo-4-(3-ethoxypheno…

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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) 4.40 6.48 -7.03 1 3 0 39 337.213 5 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(4-fluoro-2-nitro-phenoxy)phenyl]ethanol (1S)-1-[3-chloro-4-(4-fluoro-2-n…

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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 7.51 -9.71 1 5 0 75 311.696 4 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(4-fluoro-2-nitro-phenoxy)phenyl]ethanol (1R)-1-[3-chloro-4-(4-fluoro-2-n…

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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 7.47 -9.22 1 5 0 75 311.696 4 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(4-fluoro-2-nitro-phenoxy)phenyl]ethanol (1S)-1-[3-bromo-4-(4-fluoro-2-ni…

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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) 4.04 7.6 -9.54 1 5 0 75 356.147 4 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(4-fluoro-2-nitro-phenoxy)phenyl]ethanol (1R)-1-[3-bromo-4-(4-fluoro-2-ni…

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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) 4.04 7.57 -9.03 1 5 0 75 356.147 4 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(2-chloro-4-methyl-phenoxy)phenyl]ethanol (1R)-1-[3-chloro-4-(2-chloro-4-m…

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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) 4.92 7.34 -6.67 1 2 0 29 297.181 3 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(2-chloro-4-methyl-phenoxy)phenyl]ethanol (1S)-1-[3-chloro-4-(2-chloro-4-m…

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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) 4.92 7.35 -6.51 1 2 0 29 297.181 3 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(3,5-difluorophenoxy)phenyl]ethanol (1S)-1-[3-chloro-4-(3,5-difluoro…

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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) 4.12 6.26 -4.46 1 2 0 29 284.689 3 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(3,5-difluorophenoxy)phenyl]ethanol (1R)-1-[3-chloro-4-(3,5-difluoro…

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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) 4.12 6.23 -4.47 1 2 0 29 284.689 3 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(3,5-difluorophenoxy)phenyl]ethanol (1S)-1-[3-bromo-4-(3,5-difluorop…

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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) 4.25 6.37 -4.4 1 2 0 29 329.14 3 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(3,5-difluorophenoxy)phenyl]ethanol (1R)-1-[3-bromo-4-(3,5-difluorop…

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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) 4.25 6.34 -4.36 1 2 0 29 329.14 3 ↓

Analogs

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Popular Name: N-[2-[4-[(1S)-1-aminoethyl]-2-chloro-phenoxy]phenyl]acetamide N-[2-[4-[(1S)-1-aminoethyl]-2-ch…

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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) 1.33 5.62 -51.95 4 4 1 66 305.785 4 ↓
Hi High (pH 8-9.5) 1.33 5.29 -7.57 3 4 0 64 304.777 4 ↓

Analogs

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Popular Name: N-[2-[4-[(1R)-1-aminoethyl]-2-chloro-phenoxy]phenyl]acetamide N-[2-[4-[(1R)-1-aminoethyl]-2-ch…

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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) 1.33 5.62 -51.66 4 4 1 66 305.785 4 ↓
Hi High (pH 8-9.5) 1.33 5.32 -7.33 3 4 0 64 304.777 4 ↓

Analogs

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Popular Name: N-[2-[4-[(1S)-1-aminoethyl]-2-bromo-phenoxy]phenyl]acetamide N-[2-[4-[(1S)-1-aminoethyl]-2-br…

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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) 1.46 5.73 -51.82 4 4 1 66 350.236 4 ↓
Hi High (pH 8-9.5) 1.46 5.41 -7.52 3 4 0 64 349.228 4 ↓

Analogs

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Popular Name: N-[2-[4-[(1R)-1-aminoethyl]-2-bromo-phenoxy]phenyl]acetamide N-[2-[4-[(1R)-1-aminoethyl]-2-br…

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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) 1.46 5.73 -51.48 4 4 1 66 350.236 4 ↓
Hi High (pH 8-9.5) 1.46 5.43 -7.28 3 4 0 64 349.228 4 ↓

Analogs

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

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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 8.98 -43.69 2 3 1 35 306.813 5 ↓
Hi High (pH 8-9.5) 4.65 7.81 -7.24 1 3 0 30 305.805 5 ↓

Analogs

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

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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 8.99 -43.85 2 3 1 35 306.813 5 ↓
Hi High (pH 8-9.5) 4.65 7.82 -6.57 1 3 0 30 305.805 5 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(2-methoxy-4-methyl-phenoxy)phenyl]ethanamine (1R)-1-[3-chloro-4-(2-methoxy-4-…

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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 7.21 -49.22 3 3 1 46 292.786 4 ↓
Hi High (pH 8-9.5) 2.40 6.91 -7.27 2 3 0 44 291.778 4 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(2-methoxy-4-methyl-phenoxy)phenyl]ethanamine (1S)-1-[3-chloro-4-(2-methoxy-4-…

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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 7.21 -49.33 3 3 1 46 292.786 4 ↓
Hi High (pH 8-9.5) 2.40 6.88 -7.5 2 3 0 44 291.778 4 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(2-methoxy-4-methyl-phenoxy)phenyl]-N-methyl-ethanamine (1R)-1-[3-bromo-4-(2-methoxy-4-m…

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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) 4.78 9.07 -43.38 2 3 1 35 351.264 5 ↓
Hi High (pH 8-9.5) 4.78 7.9 -7.14 1 3 0 30 350.256 5 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(2-methoxy-4-methyl-phenoxy)phenyl]-N-methyl-ethanamine (1S)-1-[3-bromo-4-(2-methoxy-4-m…

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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) 4.78 9.08 -43.51 2 3 1 35 351.264 5 ↓
Hi High (pH 8-9.5) 4.78 7.9 -6.45 1 3 0 30 350.256 5 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(2-methoxy-4-methyl-phenoxy)phenyl]ethanamine (1R)-1-[3-bromo-4-(2-methoxy-4-m…

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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) 2.53 7.3 -48.89 3 3 1 46 337.237 4 ↓
Hi High (pH 8-9.5) 2.53 7.01 -7.1 2 3 0 44 336.229 4 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(2-methoxy-4-methyl-phenoxy)phenyl]ethanamine (1S)-1-[3-bromo-4-(2-methoxy-4-m…

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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) 2.53 7.3 -49.02 3 3 1 46 337.237 4 ↓
Hi High (pH 8-9.5) 2.53 6.97 -7.29 2 3 0 44 336.229 4 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-(4-chloro-2-nitro-phenoxy)phenyl]ethanamine (1S)-1-[3-chloro-4-(4-chloro-2-n…

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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) 2.73 8.53 -59.36 3 5 1 83 328.175 4 ↓
Hi High (pH 8-9.5) 2.73 8.21 -8.88 2 5 0 81 327.167 4 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-(4-chloro-2-nitro-phenoxy)phenyl]ethanamine (1R)-1-[3-chloro-4-(4-chloro-2-n…

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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) 2.73 8.53 -61.43 3 5 1 83 328.175 4 ↓
Hi High (pH 8-9.5) 2.73 8.23 -7.95 2 5 0 81 327.167 4 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-(4-chloro-2-nitro-phenoxy)phenyl]ethanamine (1S)-1-[3-bromo-4-(4-chloro-2-ni…

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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 8.62 -59.41 3 5 1 83 372.626 4 ↓
Hi High (pH 8-9.5) 2.86 8.3 -8.69 2 5 0 81 371.618 4 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-(4-chloro-2-nitro-phenoxy)phenyl]ethanamine (1R)-1-[3-bromo-4-(4-chloro-2-ni…

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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 8.63 -61.44 3 5 1 83 372.626 4 ↓
Hi High (pH 8-9.5) 2.86 8.33 -7.78 2 5 0 81 371.618 4 ↓

Analogs

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

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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) 2.92 7.28 -53.05 3 2 1 37 327.629 3 ↓
Hi High (pH 8-9.5) 2.92 6.98 -4.85 2 2 0 35 326.621 3 ↓

Analogs

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

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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) 2.92 7.28 -54.08 3 2 1 37 327.629 3 ↓
Hi High (pH 8-9.5) 2.92 6.95 -5.54 2 2 0 35 326.621 3 ↓

Analogs

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

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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) 3.06 7.39 -52.97 3 2 1 37 372.08 3 ↓
Hi High (pH 8-9.5) 3.06 7.09 -4.74 2 2 0 35 371.072 3 ↓

Analogs

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

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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) 3.06 7.39 -54.06 3 2 1 37 372.08 3 ↓
Hi High (pH 8-9.5) 3.06 7.06 -5.41 2 2 0 35 371.072 3 ↓

Analogs

6353277
6353277
6639701
6639701

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Popular Name: (2-phenoxyphenyl)carbamoylmethyl (2-phenoxyphenyl)carbamoylmethyl

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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) 4.32 2.42 -9.28 1 5 0 64 327.38 9 ↓

Analogs

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Popular Name: 2-[2-chloro-4-[(1S)-1-(methylamino)ethyl]phenoxy]benzamide 2-[2-chloro-4-[(1S)-1-(methylami…

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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) 3.73 6.37 -53.1 4 4 1 69 305.785 5 ↓
Hi High (pH 8-9.5) 3.73 5.2 -12.36 3 4 0 64 304.777 5 ↓

Analogs

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Popular Name: 2-[2-chloro-4-[(1R)-1-(methylamino)ethyl]phenoxy]benzamide 2-[2-chloro-4-[(1R)-1-(methylami…

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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) 3.73 6.38 -54.47 4 4 1 69 305.785 5 ↓
Hi High (pH 8-9.5) 3.73 5.2 -13.13 3 4 0 64 304.777 5 ↓

Analogs

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Popular Name: 2-[4-[(1S)-1-aminoethyl]-2-chloro-phenoxy]benzamide 2-[4-[(1S)-1-aminoethyl]-2-chlor…

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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) 1.48 4.6 -58.87 5 4 1 80 291.758 4 ↓
Hi High (pH 8-9.5) 1.48 4.28 -13.85 4 4 0 78 290.75 4 ↓

Analogs

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Popular Name: 2-[4-[(1R)-1-aminoethyl]-2-chloro-phenoxy]benzamide 2-[4-[(1R)-1-aminoethyl]-2-chlor…

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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) 1.48 4.6 -60.37 5 4 1 80 291.758 4 ↓
Hi High (pH 8-9.5) 1.48 4.3 -12.98 4 4 0 78 290.75 4 ↓

Analogs

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Popular Name: 2-[2-bromo-4-[(1S)-1-(methylamino)ethyl]phenoxy]benzamide 2-[2-bromo-4-[(1S)-1-(methylamin…

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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) 3.87 6.47 -52.88 4 4 1 69 350.236 5 ↓
Hi High (pH 8-9.5) 3.87 5.3 -12.1 3 4 0 64 349.228 5 ↓

Analogs

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Popular Name: 2-[2-bromo-4-[(1R)-1-(methylamino)ethyl]phenoxy]benzamide 2-[2-bromo-4-[(1R)-1-(methylamin…

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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) 3.87 6.48 -54.2 4 4 1 69 350.236 5 ↓
Hi High (pH 8-9.5) 3.87 5.3 -12.85 3 4 0 64 349.228 5 ↓

Analogs

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Popular Name: 2-[4-[(1S)-1-aminoethyl]-2-bromo-phenoxy]benzamide 2-[4-[(1S)-1-aminoethyl]-2-bromo…

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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) 1.61 4.7 -58.68 5 4 1 80 336.209 4 ↓
Hi High (pH 8-9.5) 1.61 4.38 -13.61 4 4 0 78 335.201 4 ↓

Analogs

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Popular Name: 2-[4-[(1R)-1-aminoethyl]-2-bromo-phenoxy]benzamide 2-[4-[(1R)-1-aminoethyl]-2-bromo…

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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) 1.61 4.7 -60.09 5 4 1 80 336.209 4 ↓
Hi High (pH 8-9.5) 1.61 4.4 -12.7 4 4 0 78 335.201 4 ↓

Analogs

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Popular Name: 3-[2-chloro-4-[(1S)-1-(methylamino)ethyl]phenoxy]benzonitrile 3-[2-chloro-4-[(1S)-1-(methylami…

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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) 4.15 8.86 -46.89 2 3 1 50 287.77 4 ↓
Hi High (pH 8-9.5) 4.15 7.69 -6.52 1 3 0 45 286.762 4 ↓

Analogs

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Popular Name: 3-[2-chloro-4-[(1R)-1-(methylamino)ethyl]phenoxy]benzonitrile 3-[2-chloro-4-[(1R)-1-(methylami…

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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) 4.15 8.87 -47.64 2 3 1 50 287.77 4 ↓
Hi High (pH 8-9.5) 4.15 7.69 -7.09 1 3 0 45 286.762 4 ↓

Analogs

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Popular Name: 3-[2-chloro-4-[(1S)-1-(ethylamino)ethyl]phenoxy]benzonitrile 3-[2-chloro-4-[(1S)-1-(ethylamin…

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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) 4.52 9.71 -45.57 2 3 1 50 301.797 5 ↓
Hi High (pH 8-9.5) 4.52 8.62 -7.25 1 3 0 45 300.789 5 ↓

Analogs

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Popular Name: 3-[2-chloro-4-[(1R)-1-(ethylamino)ethyl]phenoxy]benzonitrile 3-[2-chloro-4-[(1R)-1-(ethylamin…

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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) 4.52 9.71 -46.27 2 3 1 50 301.797 5 ↓
Hi High (pH 8-9.5) 4.52 8.6 -6.46 1 3 0 45 300.789 5 ↓

Analogs

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Popular Name: 3-[4-[(1S)-1-aminoethyl]-2-chloro-phenoxy]benzonitrile 3-[4-[(1S)-1-aminoethyl]-2-chlor…

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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) 1.89 7.09 -52.39 3 3 1 61 273.743 3 ↓
Hi High (pH 8-9.5) 1.89 6.78 -7.8 2 3 0 59 272.735 3 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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