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Popular Name: (3R)-3-[2-[(1S)-1-hydroxypropyl]phenoxy]azepan-2-one (3R)-3-[2-[(1S)-1-hydroxypropyl]…

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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) 2.01 3.46 -7.94 2 4 0 59 263.337 4 ↓

Analogs

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Popular Name: (3R)-3-[2-[(1R)-1-hydroxypropyl]phenoxy]azepan-2-one (3R)-3-[2-[(1R)-1-hydroxypropyl]…

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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) 2.01 3.37 -8.06 2 4 0 59 263.337 4 ↓

Analogs

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Popular Name: (3S)-3-[2-[(1S)-1-hydroxypropyl]phenoxy]azepan-2-one (3S)-3-[2-[(1S)-1-hydroxypropyl]…

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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) 2.01 3.38 -8.07 2 4 0 59 263.337 4 ↓

Analogs

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Popular Name: (3S)-3-[2-[(1R)-1-hydroxypropyl]phenoxy]azepan-2-one (3S)-3-[2-[(1R)-1-hydroxypropyl]…

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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) 2.01 3.45 -7.95 2 4 0 59 263.337 4 ↓

Analogs

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Popular Name: (3R)-3-[4-[(1S)-1-hydroxyethyl]phenoxy]azepan-2-one (3R)-3-[4-[(1S)-1-hydroxyethyl]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) 1.56 2.46 -9.76 2 4 0 59 249.31 3 ↓

Analogs

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Popular Name: (3R)-3-[4-[(1R)-1-hydroxyethyl]phenoxy]azepan-2-one (3R)-3-[4-[(1R)-1-hydroxyethyl]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) 1.56 2.44 -9.6 2 4 0 59 249.31 3 ↓

Analogs

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Popular Name: (3S)-3-[4-[(1S)-1-hydroxyethyl]phenoxy]azepan-2-one (3S)-3-[4-[(1S)-1-hydroxyethyl]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) 1.56 2.47 -9.64 2 4 0 59 249.31 3 ↓

Analogs

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Popular Name: (3S)-3-[4-[(1R)-1-hydroxyethyl]phenoxy]azepan-2-one (3S)-3-[4-[(1R)-1-hydroxyethyl]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) 1.56 2.44 -9.74 2 4 0 59 249.31 3 ↓

Analogs

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Popular Name: (3R)-3-[4-[(1S)-1-hydroxyethyl]-2-methoxy-phenoxy]azepan-2-one (3R)-3-[4-[(1S)-1-hydroxyethyl]-…

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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 2.23 -10.31 2 5 0 68 279.336 4 ↓

Analogs

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Popular Name: (3R)-3-[4-[(1R)-1-hydroxyethyl]-2-methoxy-phenoxy]azepan-2-one (3R)-3-[4-[(1R)-1-hydroxyethyl]-…

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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 2.19 -10.15 2 5 0 68 279.336 4 ↓

Analogs

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Popular Name: (3S)-3-[4-[(1S)-1-hydroxyethyl]-2-methoxy-phenoxy]azepan-2-one (3S)-3-[4-[(1S)-1-hydroxyethyl]-…

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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 2.23 -10.27 2 5 0 68 279.336 4 ↓

Analogs

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Popular Name: (3S)-3-[4-[(1R)-1-hydroxyethyl]-2-methoxy-phenoxy]azepan-2-one (3S)-3-[4-[(1R)-1-hydroxyethyl]-…

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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 2.19 -10.27 2 5 0 68 279.336 4 ↓

Analogs

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Popular Name: (3R)-3-[2-[(1S)-1-hydroxyethyl]phenoxy]azepan-2-one (3R)-3-[2-[(1S)-1-hydroxyethyl]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) 1.51 2.54 -8.38 2 4 0 59 249.31 3 ↓

Analogs

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Popular Name: (3R)-3-[2-[(1R)-1-hydroxyethyl]phenoxy]azepan-2-one (3R)-3-[2-[(1R)-1-hydroxyethyl]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) 1.51 2.45 -8.48 2 4 0 59 249.31 3 ↓

Analogs

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Popular Name: (3S)-3-[2-[(1S)-1-hydroxyethyl]phenoxy]azepan-2-one (3S)-3-[2-[(1S)-1-hydroxyethyl]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) 1.51 2.46 -8.5 2 4 0 59 249.31 3 ↓

Analogs

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Popular Name: (3S)-3-[2-[(1R)-1-hydroxyethyl]phenoxy]azepan-2-one (3S)-3-[2-[(1R)-1-hydroxyethyl]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) 1.51 2.54 -8.39 2 4 0 59 249.31 3 ↓

Analogs

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Popular Name: (3R)-3-[4-[(3S)-3-hydroxybutyl]phenoxy]azepan-2-one (3R)-3-[4-[(3S)-3-hydroxybutyl]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) 2.42 3.99 -7.98 2 4 0 59 277.364 5 ↓

Analogs

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Popular Name: (3R)-3-[4-[(3R)-3-hydroxybutyl]phenoxy]azepan-2-one (3R)-3-[4-[(3R)-3-hydroxybutyl]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) 2.42 3.99 -9.16 2 4 0 59 277.364 5 ↓

Analogs

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Popular Name: (3S)-3-[4-[(3S)-3-hydroxybutyl]phenoxy]azepan-2-one (3S)-3-[4-[(3S)-3-hydroxybutyl]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) 2.42 3.99 -7.99 2 4 0 59 277.364 5 ↓

Analogs

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Popular Name: (3S)-3-[4-[(3R)-3-hydroxybutyl]phenoxy]azepan-2-one (3S)-3-[4-[(3R)-3-hydroxybutyl]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) 2.42 3.99 -9.11 2 4 0 59 277.364 5 ↓

Analogs

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Popular Name: (3R)-3-[3-[(1S)-1-hydroxyethyl]phenoxy]azepan-2-one (3R)-3-[3-[(1S)-1-hydroxyethyl]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) 1.54 2.46 -8.3 2 4 0 59 249.31 3 ↓

Analogs

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Popular Name: (3R)-3-[3-[(1R)-1-hydroxyethyl]phenoxy]azepan-2-one (3R)-3-[3-[(1R)-1-hydroxyethyl]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) 1.54 2.44 -8.65 2 4 0 59 249.31 3 ↓

Analogs

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Popular Name: (3S)-3-[3-[(1S)-1-hydroxyethyl]phenoxy]azepan-2-one (3S)-3-[3-[(1S)-1-hydroxyethyl]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) 1.54 2.46 -8.77 2 4 0 59 249.31 3 ↓

Analogs

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Popular Name: (3S)-3-[3-[(1R)-1-hydroxyethyl]phenoxy]azepan-2-one (3S)-3-[3-[(1R)-1-hydroxyethyl]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) 1.54 2.43 -8.76 2 4 0 59 249.31 3 ↓

Analogs

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Popular Name: (3R)-3-[4-[(1S)-1-hydroxypropyl]phenoxy]azepan-2-one (3R)-3-[4-[(1S)-1-hydroxypropyl]…

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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) 2.06 3.39 -7.99 2 4 0 59 263.337 4 ↓

Analogs

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Popular Name: (3R)-3-[4-[(1R)-1-hydroxypropyl]phenoxy]azepan-2-one (3R)-3-[4-[(1R)-1-hydroxypropyl]…

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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) 2.06 3.37 -7.79 2 4 0 59 263.337 4 ↓

Analogs

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Popular Name: (3S)-3-[4-[(1S)-1-hydroxypropyl]phenoxy]azepan-2-one (3S)-3-[4-[(1S)-1-hydroxypropyl]…

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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) 2.06 3.39 -7.82 2 4 0 59 263.337 4 ↓

Analogs

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Popular Name: (3S)-3-[4-[(1R)-1-hydroxypropyl]phenoxy]azepan-2-one (3S)-3-[4-[(1R)-1-hydroxypropyl]…

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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) 2.06 3.37 -7.89 2 4 0 59 263.337 4 ↓

Analogs

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Popular Name: (3R)-3-[2-(N-hydroxy-C-methyl-carbonimidoyl)-4-methyl-phenoxy]azepan-2-one (3R)-3-[2-(N-hydroxy-C-methyl-ca…

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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) 2.34 3.75 -8.72 2 5 0 71 276.336 3 ↓

Analogs

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Popular Name: (3S)-3-[2-(N-hydroxy-C-methyl-carbonimidoyl)-4-methyl-phenoxy]azepan-2-one (3S)-3-[2-(N-hydroxy-C-methyl-ca…

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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) 2.34 3.74 -8.71 2 5 0 71 276.336 3 ↓

Analogs

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Popular Name: (3R)-3-[2-[(1R)-1-aminoethyl]-4-methyl-phenoxy]azepan-2-one (3R)-3-[2-[(1R)-1-aminoethyl]-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) 0.24 3.69 -53.33 4 4 1 66 263.361 3 ↓

Analogs

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Popular Name: (3R)-3-[2-[(1S)-1-aminoethyl]-4-methyl-phenoxy]azepan-2-one (3R)-3-[2-[(1S)-1-aminoethyl]-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) 0.24 3.8 -53.68 4 4 1 66 263.361 3 ↓

Analogs

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Popular Name: (3S)-3-[2-[(1R)-1-aminoethyl]-4-methyl-phenoxy]azepan-2-one (3S)-3-[2-[(1R)-1-aminoethyl]-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) 0.24 3.78 -53.54 4 4 1 66 263.361 3 ↓

Analogs

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Popular Name: (3S)-3-[2-[(1S)-1-aminoethyl]-4-methyl-phenoxy]azepan-2-one (3S)-3-[2-[(1S)-1-aminoethyl]-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) 0.24 3.74 -53.08 4 4 1 66 263.361 3 ↓

Analogs

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Popular Name: (3R)-3-[4-methyl-2-[(1R)-1-(methylamino)ethyl]phenoxy]azepan-2-one (3R)-3-[4-methyl-2-[(1R)-1-(meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.49 5.52 -47.52 3 4 1 55 277.388 4 ↓

Analogs

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Popular Name: (3R)-3-[4-methyl-2-[(1S)-1-(methylamino)ethyl]phenoxy]azepan-2-one (3R)-3-[4-methyl-2-[(1S)-1-(meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.49 5.63 -47.8 3 4 1 55 277.388 4 ↓

Analogs

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Popular Name: (3S)-3-[4-methyl-2-[(1R)-1-(methylamino)ethyl]phenoxy]azepan-2-one (3S)-3-[4-methyl-2-[(1R)-1-(meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.49 5.61 -47.7 3 4 1 55 277.388 4 ↓

Analogs

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Popular Name: (3S)-3-[4-methyl-2-[(1S)-1-(methylamino)ethyl]phenoxy]azepan-2-one (3S)-3-[4-methyl-2-[(1S)-1-(meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.49 5.56 -47.33 3 4 1 55 277.388 4 ↓

Analogs

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Popular Name: (3R)-3-[2-[(1S)-1-(ethylamino)ethyl]-4-methyl-phenoxy]azepan-2-one (3R)-3-[2-[(1S)-1-(ethylamino)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) 2.87 6.46 -46.2 3 4 1 55 291.415 5 ↓

Analogs

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Popular Name: (3R)-3-[2-[(1R)-1-(ethylamino)ethyl]-4-methyl-phenoxy]azepan-2-one (3R)-3-[2-[(1R)-1-(ethylamino)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) 2.87 6.34 -45.94 3 4 1 55 291.415 5 ↓

Analogs

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Popular Name: (3S)-3-[2-[(1S)-1-(ethylamino)ethyl]-4-methyl-phenoxy]azepan-2-one (3S)-3-[2-[(1S)-1-(ethylamino)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) 2.87 6.35 -45.97 3 4 1 55 291.415 5 ↓

Analogs

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Popular Name: (3S)-3-[2-[(1R)-1-(ethylamino)ethyl]-4-methyl-phenoxy]azepan-2-one (3S)-3-[2-[(1R)-1-(ethylamino)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) 2.87 6.42 -46.08 3 4 1 55 291.415 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[2-[(1R)-1-hydroxyethyl]-4-methyl-phenoxy]azepan-2-one (3R)-3-[2-[(1R)-1-hydroxyethyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.94 3.22 -8.25 2 4 0 59 263.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[2-[(1S)-1-hydroxyethyl]-4-methyl-phenoxy]azepan-2-one (3R)-3-[2-[(1S)-1-hydroxyethyl]-…

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Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.94 3.31 -8.14 2 4 0 59 263.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[2-[(1R)-1-hydroxyethyl]-4-methyl-phenoxy]azepan-2-one (3S)-3-[2-[(1R)-1-hydroxyethyl]-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.94 3.3 -8.09 2 4 0 59 263.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[2-[(1S)-1-hydroxyethyl]-4-methyl-phenoxy]azepan-2-one (3S)-3-[2-[(1S)-1-hydroxyethyl]-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.94 3.22 -8.27 2 4 0 59 263.337 3 ↓

Analogs

42876040
42876040
42876045
42876045
13086456
13086456
13086709
13086709
13035115
13035115

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methoxy-2-[(3R)-2-oxoazepan-3-yl]oxy-benzoic 5-methoxy-2-[(3R)-2-oxoazepan-3-…

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Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.97 4.58 -48.97 1 6 -1 88 278.284 4 ↓

Analogs

42876040
42876040
42876045
42876045
13086456
13086456
13086709
13086709
13035115
13035115

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methoxy-2-[(3S)-2-oxoazepan-3-yl]oxy-benzoic 5-methoxy-2-[(3S)-2-oxoazepan-3-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.97 4.59 -48.93 1 6 -1 88 278.284 4 ↓

Analogs

42875653
42875653
42875657
42875657

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methoxy-2-[(3R)-2-oxoazepan-3-yl]oxy-benzaldehyde 5-methoxy-2-[(3R)-2-oxoazepan-3-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.77 3.37 -10.34 1 5 0 65 263.293 4 ↓

Analogs

42875653
42875653
42875657
42875657
30847994
30847994
30847989
30847989
20031914
20031914

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methoxy-2-[(3S)-2-oxoazepan-3-yl]oxy-benzaldehyde 5-methoxy-2-[(3S)-2-oxoazepan-3-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.77 3.36 -10.29 1 5 0 65 263.293 4 ↓

Parameters Provided:

ring.id = 18935
filter.purchasability = annotated
page.format = targets
page.num = 1

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 = 18935 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=18935&filter.purchasability=annotated

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