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Analogs

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Popular Name: 2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-(4-methylpiperazin-1-yl)ethanone 2-[2-[(1S)-1-hydroxypropyl]pheno…

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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) 1.26 4 -12.84 1 5 0 53 292.379 5 ↓
Mid Mid (pH 6-8) 1.26 6.36 -50.7 2 5 1 54 293.387 5 ↓

Analogs

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Popular Name: 2-[2-[(1R)-1-hydroxypropyl]phenoxy]-1-(4-methylpiperazin-1-yl)ethanone 2-[2-[(1R)-1-hydroxypropyl]pheno…

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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) 1.26 4 -12.88 1 5 0 53 292.379 5 ↓
Mid Mid (pH 6-8) 1.26 6.36 -50.83 2 5 1 54 293.387 5 ↓

Analogs

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Popular Name: 2-[4-[(1S)-1-hydroxyethyl]phenoxy]-1-(4-methylpiperazin-1-yl)ethanone 2-[4-[(1S)-1-hydroxyethyl]phenox…

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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) 0.80 3.02 -14.04 1 5 0 53 278.352 4 ↓
Mid Mid (pH 6-8) 0.80 5.39 -52.93 2 5 1 54 279.36 4 ↓

Analogs

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Popular Name: 2-[4-[(1R)-1-hydroxyethyl]phenoxy]-1-(4-methylpiperazin-1-yl)ethanone 2-[4-[(1R)-1-hydroxyethyl]phenox…

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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) 0.80 2.99 -13.97 1 5 0 53 278.352 4 ↓
Mid Mid (pH 6-8) 0.80 5.35 -52.78 2 5 1 54 279.36 4 ↓

Analogs

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Popular Name: 2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-(4-methylpiperazin-1-yl)ethanone 2-[2-[(1S)-1-hydroxyethyl]phenox…

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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) 0.75 3.1 -12.56 1 5 0 53 278.352 4 ↓
Mid Mid (pH 6-8) 0.75 5.45 -51.38 2 5 1 54 279.36 4 ↓

Analogs

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Popular Name: 2-[2-[(1R)-1-hydroxyethyl]phenoxy]-1-(4-methylpiperazin-1-yl)ethanone 2-[2-[(1R)-1-hydroxyethyl]phenox…

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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) 0.75 3.09 -12.52 1 5 0 53 278.352 4 ↓
Mid Mid (pH 6-8) 0.75 5.44 -51.42 2 5 1 54 279.36 4 ↓

Analogs

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Popular Name: 2-[3-[(1S)-1-hydroxyethyl]phenoxy]-1-(4-methylpiperazin-1-yl)ethanone 2-[3-[(1S)-1-hydroxyethyl]phenox…

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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) 0.78 3.02 -12.98 1 5 0 53 278.352 4 ↓
Mid Mid (pH 6-8) 0.78 5.38 -51.62 2 5 1 54 279.36 4 ↓

Analogs

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Popular Name: 2-[3-[(1R)-1-hydroxyethyl]phenoxy]-1-(4-methylpiperazin-1-yl)ethanone 2-[3-[(1R)-1-hydroxyethyl]phenox…

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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) 0.78 2.98 -13.06 1 5 0 53 278.352 4 ↓
Mid Mid (pH 6-8) 0.78 5.34 -51.73 2 5 1 54 279.36 4 ↓

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) 0.52 4.05 -13.97 2 7 0 85 293.323 4 ↓

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) 0.16 3.95 -15.29 2 7 0 85 293.323 4 ↓

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) 0.14 3.96 -15.55 2 7 0 85 293.323 4 ↓

Analogs

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Popular Name: 2-[4-[(1S)-1-hydroxypropyl]phenoxy]-1-(4-methylpiperazin-1-yl)ethanone 2-[4-[(1S)-1-hydroxypropyl]pheno…

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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) 1.30 3.94 -12.68 1 5 0 53 292.379 5 ↓
Mid Mid (pH 6-8) 1.30 6.31 -51.31 2 5 1 54 293.387 5 ↓

Analogs

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Popular Name: 2-[4-[(1R)-1-hydroxypropyl]phenoxy]-1-(4-methylpiperazin-1-yl)ethanone 2-[4-[(1R)-1-hydroxypropyl]pheno…

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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) 1.30 3.91 -12.61 1 5 0 53 292.379 5 ↓
Mid Mid (pH 6-8) 1.30 6.28 -51.14 2 5 1 54 293.387 5 ↓

Analogs

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Popular Name: 2-(2-acetyl-4-methyl-phenoxy)-1-(4-methylpiperazin-1-yl)ethanone 2-(2-acetyl-4-methyl-phenoxy)-1-…

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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 6.93 -20.19 0 5 0 50 290.363 4 ↓
Mid Mid (pH 6-8) 1.51 9.25 -56.53 1 5 1 51 291.371 4 ↓

Analogs

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Popular Name: 2-[2-[(1R)-1-aminoethyl]-4-methyl-phenoxy]-1-(4-methylpiperazin-1-yl)ethanone 2-[2-[(1R)-1-aminoethyl]-4-methy…

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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) -0.52 4.33 -45.12 3 5 1 60 292.403 4 ↓
Hi High (pH 8-9.5) -0.52 4 -11.59 2 5 0 59 291.395 4 ↓
Mid Mid (pH 6-8) -0.52 6.68 -92.78 4 5 2 62 293.411 4 ↓

Analogs

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Popular Name: 2-[2-[(1S)-1-aminoethyl]-4-methyl-phenoxy]-1-(4-methylpiperazin-1-yl)ethanone 2-[2-[(1S)-1-aminoethyl]-4-methy…

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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) -0.52 4.35 -45.35 3 5 1 60 292.403 4 ↓
Hi High (pH 8-9.5) -0.52 4.07 -11.06 2 5 0 59 291.395 4 ↓
Mid Mid (pH 6-8) -0.52 6.7 -93.22 4 5 2 62 293.411 4 ↓

Analogs

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Popular Name: 4-[2-(2-aminophenoxy)acetyl]piperazine-1-sulfonamide 4-[2-(2-aminophenoxy)acetyl]pipe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.57 -0.83 -17.87 4 8 0 119 314.367 4 ↓
Hi High (pH 8-9.5) -0.57 -0.34 -44.16 3 8 -1 116 313.359 4 ↓

Analogs

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Popular Name: 2-[2-[(1R)-1-hydroxyethyl]-4-methyl-phenoxy]-1-(4-methylpiperazin-1-yl)ethanone 2-[2-[(1R)-1-hydroxyethyl]-4-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) 1.18 3.85 -12.81 1 5 0 53 292.379 4 ↓
Mid Mid (pH 6-8) 1.18 6.11 -51.51 2 5 1 54 293.387 4 ↓

Analogs

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Popular Name: 2-[2-[(1S)-1-hydroxyethyl]-4-methyl-phenoxy]-1-(4-methylpiperazin-1-yl)ethanone 2-[2-[(1S)-1-hydroxyethyl]-4-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) 1.18 3.86 -12.79 1 5 0 53 292.379 4 ↓
Mid Mid (pH 6-8) 1.18 6.12 -51.39 2 5 1 54 293.387 4 ↓

Analogs

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Popular Name: 4-[2-(4-aminophenoxy)acetyl]piperazine-1-sulfonamide 4-[2-(4-aminophenoxy)acetyl]pipe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.93 -0.92 -19.34 4 8 0 119 314.367 4 ↓
Hi High (pH 8-9.5) -0.93 -0.43 -45.61 3 8 -1 116 313.359 4 ↓

Analogs

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Popular Name: 4-[2-(3-aminophenoxy)acetyl]piperazine-1-sulfonamide 4-[2-(3-aminophenoxy)acetyl]pipe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.95 -0.91 -19.44 4 8 0 119 314.367 4 ↓
Hi High (pH 8-9.5) -0.95 -0.43 -45.72 3 8 -1 116 313.359 4 ↓

Analogs

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Popular Name: 2-(4-chlorophenoxy)-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one 2-(4-chlorophenoxy)-2-methyl-1-(…

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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) 2.10 4.15 -11.79 0 6 0 67 360.863 4 ↓

Analogs

25513029
25513029
39551235
39551235

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Popular Name: 2-(2-isopropyl-5-methyl-phenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone 2-(2-isopropyl-5-methyl-phenoxy)…

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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) 2.03 6.48 -18.35 0 6 0 67 354.472 5 ↓

Analogs

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Popular Name: (2S)-2-(4-chloro-2-methyl-phenoxy)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one (2S)-2-(4-chloro-2-methyl-phenox…

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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) 2.03 5.41 -17.85 0 6 0 67 360.863 4 ↓

Analogs

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Popular Name: (2R)-2-(4-chloro-2-methyl-phenoxy)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one (2R)-2-(4-chloro-2-methyl-phenox…

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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) 2.03 5.38 -17.7 0 6 0 67 360.863 4 ↓

Analogs

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Popular Name: (2S)-2-(4-bromophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one (2S)-2-(4-bromophenoxy)-1-(4-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) 1.78 4.79 -18.39 0 6 0 67 391.287 4 ↓

Analogs

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Popular Name: (2R)-2-(4-bromophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one (2R)-2-(4-bromophenoxy)-1-(4-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) 1.78 4.78 -17.94 0 6 0 67 391.287 4 ↓

Analogs

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Popular Name: (2S)-2-(4-tert-butylphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one (2S)-2-(4-tert-butylphenoxy)-1-(…

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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) 2.68 6.48 -18.6 0 6 0 67 368.499 5 ↓

Analogs

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Popular Name: (2R)-2-(4-tert-butylphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one (2R)-2-(4-tert-butylphenoxy)-1-(…

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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) 2.68 6.48 -18.04 0 6 0 67 368.499 5 ↓

Analogs

25513029
25513029
39551235
39551235

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Popular Name: 2-(2-tert-butylphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone 2-(2-tert-butylphenoxy)-1-(4-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) 2.27 6.37 -17.27 0 6 0 67 354.472 5 ↓

Analogs

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Popular Name: N-allyl-2-[4-[2-(3-bromophenoxy)acetyl]piperazin-1-yl]acetamide N-allyl-2-[4-[2-(3-bromophenoxy)…

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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 5.46 -19.61 1 6 0 62 396.285 7 ↓

Analogs

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Popular Name: N-allyl-2-[4-[2-(4-chloro-2-methyl-phenoxy)acetyl]piperazin-1-yl]acetamide N-allyl-2-[4-[2-(4-chloro-2-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) 2.54 6.04 -17.66 1 6 0 62 365.861 7 ↓

Analogs

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Popular Name: N-allyl-2-[4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazin-1-yl]acetamide N-allyl-2-[4-[2-[2-methoxy-4-[(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) 2.18 6.55 -21.98 1 7 0 71 387.48 9 ↓

Analogs

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Popular Name: N-allyl-2-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]acetamide N-allyl-2-[4-[2-(2,4-dichlorophe…

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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 5.88 -20.14 1 6 0 62 386.279 7 ↓

Analogs

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Popular Name: N-allyl-2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]acetamide N-allyl-2-[4-[2-(4-chlorophenoxy…

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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) 2.17 5.35 -17.95 1 6 0 62 351.834 7 ↓

Analogs

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Popular Name: N-allyl-2-[4-[2-(4-isopropyl-3-methyl-phenoxy)acetyl]piperazin-1-yl]acetamide N-allyl-2-[4-[2-(4-isopropyl-3-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) 2.90 7.27 -18.19 1 6 0 62 373.497 8 ↓

Analogs

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Popular Name: N-allyl-2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]acetamide N-allyl-2-[4-[2-(4-tert-butylphe…

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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) 3.19 7.14 -18.02 1 6 0 62 373.497 8 ↓

Analogs

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Popular Name: N-allyl-2-[4-[(2S)-2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]acetamide N-allyl-2-[4-[(2S)-2-(4-chloroph…

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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 5.66 -17.74 1 6 0 62 365.861 7 ↓

Analogs

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Popular Name: N-allyl-2-[4-[(2R)-2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]acetamide N-allyl-2-[4-[(2R)-2-(4-chloroph…

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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 5.63 -17.55 1 6 0 62 365.861 7 ↓

Analogs

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Popular Name: N-allyl-2-[4-[2-(2-isopropyl-5-methyl-phenoxy)acetyl]piperazin-1-yl]acetamide N-allyl-2-[4-[2-(2-isopropyl-5-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) 2.90 7.46 -17.95 1 6 0 62 373.497 8 ↓

Analogs

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Popular Name: N-allyl-2-[4-[2-(4-propoxyphenoxy)acetyl]piperazin-1-yl]acetamide N-allyl-2-[4-[2-(4-propoxyphenox…

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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 5.83 -18.67 1 7 0 71 375.469 10 ↓

Analogs

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Popular Name: N-allyl-2-[4-[(2S)-2-(4-chloro-2-methyl-phenoxy)propanoyl]piperazin-1-yl]acetamide N-allyl-2-[4-[(2S)-2-(4-chloro-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) 2.91 6.37 -17.21 1 6 0 62 379.888 7 ↓

Analogs

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Popular Name: N-allyl-2-[4-[(2R)-2-(4-chloro-2-methyl-phenoxy)propanoyl]piperazin-1-yl]acetamide N-allyl-2-[4-[(2R)-2-(4-chloro-2…

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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) 2.91 6.33 -17.22 1 6 0 62 379.888 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2-[4-[2-(5-isopropyl-2-methyl-phenoxy)acetyl]piperazin-1-yl]acetamide N-allyl-2-[4-[2-(5-isopropyl-2-m…

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) 3.38 7.44 -17.42 1 6 0 62 373.497 8 ↓

Analogs

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Popular Name: N-allyl-2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]acetamide N-allyl-2-[4-[2-(3-chlorophenoxy…

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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 5.35 -19.71 1 6 0 62 351.834 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2-[4-[2-(4-allyl-2-methoxy-phenoxy)acetyl]piperazin-1-yl]acetamide N-allyl-2-[4-[2-(4-allyl-2-metho…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.90 6.57 -21.7 1 7 0 71 387.48 10 ↓

Analogs

26335620
26335620
26335621
26335621

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2-[4-[(2S)-2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]acetamide N-allyl-2-[4-[(2S)-2-(3-chloroph…

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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 5.65 -19.57 1 6 0 62 365.861 7 ↓

Analogs

26335620
26335620
26335621
26335621

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2-[4-[(2R)-2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]acetamide N-allyl-2-[4-[(2R)-2-(3-chloroph…

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) 2.51 5.63 -16.28 1 6 0 62 365.861 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2-[4-[2-(4-isopropylphenoxy)acetyl]piperazin-1-yl]acetamide N-allyl-2-[4-[2-(4-isopropylphen…

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) 3.00 6.75 -17.91 1 6 0 62 359.47 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2-[4-[2-(2-chloro-4-fluoro-phenoxy)acetyl]piperazin-1-yl]acetamide N-allyl-2-[4-[2-(2-chloro-4-fluo…

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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) 2.26 5.43 -20.53 1 6 0 62 369.824 7 ↓

Parameters Provided:

ring.id = 3845
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 = 3845 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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