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

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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) 3.34 6.72 -45.17 2 3 1 39 263.748 4 ↓
Hi High (pH 8-9.5) 3.34 5.55 -4.84 1 3 0 34 262.74 4 ↓

Analogs

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

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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) 3.34 6.72 -44.7 2 3 1 39 263.748 4 ↓
Hi High (pH 8-9.5) 3.34 5.55 -5.58 1 3 0 34 262.74 4 ↓

Analogs

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

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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) 3.72 7.57 -43.77 2 3 1 39 277.775 5 ↓

Analogs

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

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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) 3.72 7.56 -43.33 2 3 1 39 277.775 5 ↓

Analogs

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Popular Name: N-[(1S)-1-[3-chloro-4-(3-pyridyloxy)phenyl]ethyl]propan-1-amine N-[(1S)-1-[3-chloro-4-(3-pyridyl…

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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) 4.22 8.32 -44.7 2 3 1 39 291.802 6 ↓

Analogs

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Popular Name: N-[(1R)-1-[3-chloro-4-(3-pyridyloxy)phenyl]ethyl]propan-1-amine N-[(1R)-1-[3-chloro-4-(3-pyridyl…

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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) 4.22 8.32 -44.19 2 3 1 39 291.802 6 ↓

Analogs

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

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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) 1.09 4.95 -50.85 3 3 1 50 249.721 3 ↓
Hi High (pH 8-9.5) 1.09 4.65 -5.2 2 3 0 48 248.713 3 ↓

Analogs

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

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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) 1.09 4.95 -50.33 3 3 1 50 249.721 3 ↓
Hi High (pH 8-9.5) 1.09 4.62 -5.91 2 3 0 48 248.713 3 ↓

Analogs

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

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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) 3.48 6.83 -45.1 2 3 1 39 308.199 4 ↓
Hi High (pH 8-9.5) 3.48 5.66 -4.77 1 3 0 34 307.191 4 ↓

Analogs

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

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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) 3.48 6.83 -44.58 2 3 1 39 308.199 4 ↓
Hi High (pH 8-9.5) 3.48 5.66 -5.5 1 3 0 34 307.191 4 ↓

Analogs

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

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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) 3.85 7.69 -43.69 2 3 1 39 322.226 5 ↓

Analogs

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

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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) 3.85 7.68 -43.26 2 3 1 39 322.226 5 ↓

Analogs

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Popular Name: N-[(1S)-1-[3-bromo-4-(3-pyridyloxy)phenyl]ethyl]propan-1-amine N-[(1S)-1-[3-bromo-4-(3-pyridylo…

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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) 4.35 8.44 -44.57 2 3 1 39 336.253 6 ↓

Analogs

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Popular Name: N-[(1R)-1-[3-bromo-4-(3-pyridyloxy)phenyl]ethyl]propan-1-amine N-[(1R)-1-[3-bromo-4-(3-pyridylo…

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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) 4.35 8.44 -44.1 2 3 1 39 336.253 6 ↓

Analogs

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

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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) 1.22 5.06 -50.73 3 3 1 50 294.172 3 ↓
Hi High (pH 8-9.5) 1.22 4.76 -5.09 2 3 0 48 293.164 3 ↓

Analogs

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

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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) 1.22 5.06 -50.2 3 3 1 50 294.172 3 ↓
Hi High (pH 8-9.5) 1.22 4.73 -5.82 2 3 0 48 293.164 3 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-[(6-methyl-3-pyridyl)oxy]phenyl]-N-methyl-ethanamine (1R)-1-[3-chloro-4-[(6-methyl-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.40 7.25 -44.8 2 3 1 39 277.775 4 ↓
Hi High (pH 8-9.5) 3.40 6.08 -5.59 1 3 0 34 276.767 4 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-[(6-methyl-3-pyridyl)oxy]phenyl]-N-methyl-ethanamine (1S)-1-[3-chloro-4-[(6-methyl-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.40 7.26 -44.25 2 3 1 39 277.775 4 ↓
Hi High (pH 8-9.5) 3.40 6.09 -5.1 1 3 0 34 276.767 4 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-[(6-methyl-3-pyridyl)oxy]phenyl]-N-ethyl-ethanamine (1S)-1-[3-chloro-4-[(6-methyl-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.77 8.18 -43.82 2 3 1 39 291.802 5 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-[(6-methyl-3-pyridyl)oxy]phenyl]-N-ethyl-ethanamine (1R)-1-[3-chloro-4-[(6-methyl-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.77 8.17 -43.31 2 3 1 39 291.802 5 ↓

Analogs

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Popular Name: N-[(1S)-1-[3-chloro-4-[(6-methyl-3-pyridyl)oxy]phenyl]ethyl]propan-1-amine N-[(1S)-1-[3-chloro-4-[(6-methyl…

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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) 4.28 8.93 -44.63 2 3 1 39 305.829 6 ↓

Analogs

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Popular Name: N-[(1R)-1-[3-chloro-4-[(6-methyl-3-pyridyl)oxy]phenyl]ethyl]propan-1-amine N-[(1R)-1-[3-chloro-4-[(6-methyl…

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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) 4.28 8.93 -44.18 2 3 1 39 305.829 6 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-[(6-methyl-3-pyridyl)oxy]phenyl]ethanamine (1R)-1-[3-chloro-4-[(6-methyl-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.15 5.48 -50.36 3 3 1 50 263.748 3 ↓
Hi High (pH 8-9.5) 1.15 5.15 -5.56 2 3 0 48 262.74 3 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-[(6-methyl-3-pyridyl)oxy]phenyl]ethanamine (1S)-1-[3-chloro-4-[(6-methyl-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.15 5.48 -49.77 3 3 1 50 263.748 3 ↓
Hi High (pH 8-9.5) 1.15 5.15 -6.01 2 3 0 48 262.74 3 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-[(6-methyl-3-pyridyl)oxy]phenyl]-N-methyl-ethanamine (1R)-1-[3-bromo-4-[(6-methyl-3-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) 3.53 7.36 -44.56 2 3 1 39 322.226 4 ↓
Hi High (pH 8-9.5) 3.53 6.18 -5.49 1 3 0 34 321.218 4 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-[(6-methyl-3-pyridyl)oxy]phenyl]-N-methyl-ethanamine (1S)-1-[3-bromo-4-[(6-methyl-3-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) 3.53 7.36 -43.98 2 3 1 39 322.226 4 ↓
Hi High (pH 8-9.5) 3.53 6.18 -4.96 1 3 0 34 321.218 4 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-[(6-methyl-3-pyridyl)oxy]phenyl]-N-ethyl-ethanamine (1S)-1-[3-bromo-4-[(6-methyl-3-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) 3.90 8.29 -43.67 2 3 1 39 336.253 5 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-[(6-methyl-3-pyridyl)oxy]phenyl]-N-ethyl-ethanamine (1R)-1-[3-bromo-4-[(6-methyl-3-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) 3.90 8.28 -43.17 2 3 1 39 336.253 5 ↓

Analogs

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Popular Name: N-[(1S)-1-[3-bromo-4-[(6-methyl-3-pyridyl)oxy]phenyl]ethyl]propan-1-amine N-[(1S)-1-[3-bromo-4-[(6-methyl-…

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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) 4.41 9.05 -44.6 2 3 1 39 350.28 6 ↓

Analogs

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Popular Name: N-[(1R)-1-[3-bromo-4-[(6-methyl-3-pyridyl)oxy]phenyl]ethyl]propan-1-amine N-[(1R)-1-[3-bromo-4-[(6-methyl-…

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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) 4.41 9.04 -44.06 2 3 1 39 350.28 6 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-[(6-methyl-3-pyridyl)oxy]phenyl]ethanamine (1R)-1-[3-bromo-4-[(6-methyl-3-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) 1.28 5.58 -50.16 3 3 1 50 308.199 3 ↓
Hi High (pH 8-9.5) 1.28 5.26 -5.43 2 3 0 48 307.191 3 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-[(6-methyl-3-pyridyl)oxy]phenyl]ethanamine (1S)-1-[3-bromo-4-[(6-methyl-3-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) 1.28 5.58 -49.53 3 3 1 50 308.199 3 ↓
Hi High (pH 8-9.5) 1.28 5.26 -5.94 2 3 0 48 307.191 3 ↓

Analogs

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Popular Name: 3-(4-methyl-3-nitro-phenoxy)pyridine-2-carboxylic 3-(4-methyl-3-nitro-phenoxy)pyri…

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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) 2.77 8.17 -61.76 0 7 -1 108 273.224 4 ↓

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Popular Name: N-(3-ethoxypropyl)-2-(3-pyridyloxy)benzamide N-(3-ethoxypropyl)-2-(3-pyridylo…

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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) 2.94 6.73 -13.69 1 5 0 60 300.358 8 ↓

Analogs

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Popular Name: N-prop-2-ynyl-2-(3-pyridyloxy)benzamide N-prop-2-ynyl-2-(3-pyridyloxy)be…

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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 6.43 -12.98 1 4 0 51 252.273 4 ↓

Analogs

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Popular Name: N-[3-(2-methoxyethoxy)propyl]-2-(3-pyridyloxy)benzamide N-[3-(2-methoxyethoxy)propyl]-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 5.99 -15.48 1 6 0 70 330.384 10 ↓

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Popular Name: methyl methyl

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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 6.69 -19.94 1 6 0 78 300.314 7 ↓

Analogs

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Popular Name: methyl methyl

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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 5.21 -49.52 3 5 1 76 273.312 6 ↓
Mid Mid (pH 6-8) 1.53 4.88 -8.83 2 5 0 74 272.304 6 ↓

Analogs

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Popular Name: O-(3-Pyridyl)-L-tyrosine Methyl Ester O-(3-Pyridyl)-L-tyrosine Methyl …

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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 5.21 -51.73 3 5 1 76 273.312 6 ↓
Mid Mid (pH 6-8) 1.53 4.9 -8.06 2 5 0 74 272.304 6 ↓

Analogs

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Popular Name: N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-(3-pyridyloxy)benzamide N-[3-[2-methoxyethyl(methyl)amin…

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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) 2.60 7.8 -47.3 2 6 1 65 344.435 10 ↓

Analogs

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Popular Name: N-ethoxy-2-(3-pyridyloxy)benzamide N-ethoxy-2-(3-pyridyloxy)benzamide

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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) 2.65 6.69 -16.86 1 5 0 60 258.277 5 ↓

Analogs

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Popular Name: N-methoxy-2-(3-pyridyloxy)benzamide N-methoxy-2-(3-pyridyloxy)benzamide

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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 5.76 -16.99 1 5 0 60 244.25 4 ↓

Analogs

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Popular Name: N-methoxy-N-methyl-2-(3-pyridyloxy)benzamide N-methoxy-N-methyl-2-(3-pyridylo…

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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) 2.52 6.7 -12.01 0 5 0 52 258.277 4 ↓

Analogs

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Popular Name: N-[2-(methanesulfonamido)ethyl]-2-(3-pyridyloxy)benzamide N-[2-(methanesulfonamido)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) 1.47 2.07 -23.75 2 7 0 97 335.385 7 ↓

Analogs

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Popular Name: N-[3-(dimethylamino)-3-oxo-propyl]-2-(3-pyridyloxy)benzamide N-[3-(dimethylamino)-3-oxo-propy…

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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) 1.49 6.19 -23.82 1 6 0 72 313.357 6 ↓

Analogs

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Popular Name: (1S)-1-[2-fluoro-6-(3-pyridyloxy)phenyl]ethanol (1S)-1-[2-fluoro-6-(3-pyridyloxy…

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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) 2.25 3.96 -7.43 1 3 0 42 233.242 3 ↓

Analogs

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Popular Name: (1R)-1-[2-fluoro-6-(3-pyridyloxy)phenyl]ethanol (1R)-1-[2-fluoro-6-(3-pyridyloxy…

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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) 2.25 3.95 -7.68 1 3 0 42 233.242 3 ↓

Analogs

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Popular Name: (1S)-1-[4-(3-pyridyloxy)phenyl]ethanol (1S)-1-[4-(3-pyridyloxy)phenyl]e…

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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 3.77 -6.51 1 3 0 42 215.252 3 ↓

Analogs

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Popular Name: (1R)-1-[4-(3-pyridyloxy)phenyl]ethanol (1R)-1-[4-(3-pyridyloxy)phenyl]e…

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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 3.74 -6.72 1 3 0 42 215.252 3 ↓

Analogs

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Popular Name: (1S)-1-[3-fluoro-4-(3-pyridyloxy)phenyl]ethanol (1S)-1-[3-fluoro-4-(3-pyridyloxy…

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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) 2.28 3.92 -7.71 1 3 0 42 233.242 3 ↓

Parameters Provided:

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

SQL Query Was

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 = 3623 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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