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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 3-(3-bromophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one 3-(3-bromophenoxy)-1-(4-methylsu…

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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) 1.67 4.16 -16.17 0 6 0 67 391.287 5 ↓

Analogs

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Popular Name: 2-(3-oxo-3-piperazin-1-yl-propoxy)benzamide 2-(3-oxo-3-piperazin-1-yl-propox…

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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) 0.23 2.75 -53.3 4 6 1 89 278.332 5 ↓
Mid Mid (pH 6-8) 0.23 1.45 -14.25 3 6 0 85 277.324 5 ↓

Analogs

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Popular Name: 1-piperazin-1-yl-3-(2-propoxyphenoxy)propan-1-one 1-piperazin-1-yl-3-(2-propoxyphe…

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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) 1.40 6.29 -50.4 2 5 1 55 293.387 7 ↓
Mid Mid (pH 6-8) 1.40 5 -9.51 1 5 0 51 292.379 7 ↓

Analogs

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Popular Name: 1-piperazin-1-yl-3-[2-(trifluoromethyl)phenoxy]propan-1-one 1-piperazin-1-yl-3-[2-(trifluoro…

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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) 1.76 5.76 -49.65 2 4 1 46 303.304 5 ↓
Mid Mid (pH 6-8) 1.76 4.47 -8.57 1 4 0 42 302.296 5 ↓

Analogs

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Popular Name: 3-(2,4-difluorophenoxy)-1-piperazin-1-yl-propan-1-one 3-(2,4-difluorophenoxy)-1-pipera…

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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) 1.17 4.81 -50.03 2 4 1 46 271.287 4 ↓
Mid Mid (pH 6-8) 1.17 3.51 -7.68 1 4 0 42 270.279 4 ↓

Analogs

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Popular Name: 3-(2-fluorophenoxy)-1-piperazin-1-yl-propan-1-one 3-(2-fluorophenoxy)-1-piperazin-…

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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) 1.03 4.75 -50.2 2 4 1 46 253.297 4 ↓
Mid Mid (pH 6-8) 1.03 3.45 -8.95 1 4 0 42 252.289 4 ↓

Analogs

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Popular Name: 3-(3-fluorophenoxy)-1-piperazin-1-yl-propan-1-one 3-(3-fluorophenoxy)-1-piperazin-…

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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) 1.05 4.74 -51.25 2 4 1 46 253.297 4 ↓
Mid Mid (pH 6-8) 1.05 3.45 -9.38 1 4 0 42 252.289 4 ↓

Analogs

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Popular Name: 3-[2-[(1R)-1-methylpropyl]phenoxy]-1-piperazin-1-yl-propan-1-one 3-[2-[(1R)-1-methylpropyl]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) 2.25 7.35 -49.55 2 4 1 46 291.415 6 ↓
Mid Mid (pH 6-8) 2.25 6.06 -7.92 1 4 0 42 290.407 6 ↓

Analogs

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Popular Name: 3-[2-[(1S)-1-methylpropyl]phenoxy]-1-piperazin-1-yl-propan-1-one 3-[2-[(1S)-1-methylpropyl]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) 2.25 7.35 -49.56 2 4 1 46 291.415 6 ↓
Mid Mid (pH 6-8) 2.25 6.06 -7.93 1 4 0 42 290.407 6 ↓

Analogs

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Popular Name: N-[2-(3-oxo-3-piperazin-1-yl-propoxy)phenyl]acetamide N-[2-(3-oxo-3-piperazin-1-yl-pro…

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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) 0.08 3.69 -56.87 3 6 1 75 292.359 5 ↓
Mid Mid (pH 6-8) 0.08 2.41 -13.58 2 6 0 71 291.351 5 ↓

Analogs

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Popular Name: 3-(2-methoxy-4-methyl-phenoxy)-1-piperazin-1-yl-propan-1-one 3-(2-methoxy-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) 0.95 5.24 -50.84 2 5 1 55 279.36 5 ↓
Mid Mid (pH 6-8) 0.95 3.95 -9.96 1 5 0 51 278.352 5 ↓

Analogs

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Popular Name: 1-piperazin-1-yl-3-[3-(trifluoromethyl)phenoxy]propan-1-one 1-piperazin-1-yl-3-[3-(trifluoro…

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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 5.69 -50.19 2 4 1 46 303.304 5 ↓
Mid Mid (pH 6-8) 1.78 4.4 -7.78 1 4 0 42 302.296 5 ↓

Analogs

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Popular Name: 4-(3-oxo-3-piperazin-1-yl-propoxy)benzamide 4-(3-oxo-3-piperazin-1-yl-propox…

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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) -0.27 1.48 -55.91 4 6 1 89 278.332 5 ↓
Mid Mid (pH 6-8) -0.27 0.18 -12.89 3 6 0 85 277.324 5 ↓

Analogs

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Popular Name: 1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-1-one 1-piperazin-1-yl-3-(4-propoxyphe…

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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) 1.85 5.68 -50.81 2 5 1 55 293.387 7 ↓
Mid Mid (pH 6-8) 1.85 4.39 -8.82 1 5 0 51 292.379 7 ↓

Analogs

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Popular Name: 1-piperazin-1-yl-3-[4-(trifluoromethyl)phenoxy]propan-1-one 1-piperazin-1-yl-3-[4-(trifluoro…

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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) 1.81 5.67 -50.74 2 4 1 46 303.304 5 ↓
Mid Mid (pH 6-8) 1.81 4.38 -7.95 1 4 0 42 302.296 5 ↓

Analogs

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Popular Name: 3-(3-tert-butylphenoxy)-1-piperazin-1-yl-propan-1-one 3-(3-tert-butylphenoxy)-1-pipera…

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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) 2.59 6.99 -49.46 2 4 1 46 291.415 5 ↓
Mid Mid (pH 6-8) 2.59 5.7 -7.79 1 4 0 42 290.407 5 ↓

Analogs

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Popular Name: 3-[4-(2-methoxyethyl)phenoxy]-1-piperazin-1-yl-propan-1-one 3-[4-(2-methoxyethyl)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) 1.07 5.18 -50.68 2 5 1 55 293.387 7 ↓
Mid Mid (pH 6-8) 1.07 3.89 -8.77 1 5 0 51 292.379 7 ↓

Analogs

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Popular Name: 3-(3,4-difluorophenoxy)-1-piperazin-1-yl-propan-1-one 3-(3,4-difluorophenoxy)-1-pipera…

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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) 1.17 4.79 -52.85 2 4 1 46 271.287 4 ↓
Mid Mid (pH 6-8) 1.17 3.5 -9.94 1 4 0 42 270.279 4 ↓

Analogs

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Popular Name: 3-(4-methylsulfonylphenoxy)-1-piperazin-1-yl-propan-1-one 3-(4-methylsulfonylphenoxy)-1-pi…

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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) -0.22 2.22 -58.47 2 6 1 80 313.399 5 ↓
Mid Mid (pH 6-8) -0.22 0.92 -15.9 1 6 0 76 312.391 5 ↓

Analogs

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Popular Name: 3-(3-methylsulfonylphenoxy)-1-piperazin-1-yl-propan-1-one 3-(3-methylsulfonylphenoxy)-1-pi…

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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 2.22 -57.76 2 6 1 80 313.399 5 ↓
Mid Mid (pH 6-8) -0.24 0.92 -15.97 1 6 0 76 312.391 5 ↓

Analogs

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Popular Name: 3-(5-isopropyl-2-methyl-phenoxy)-1-piperazin-1-yl-propan-1-one 3-(5-isopropyl-2-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) 2.80 7.33 -49.68 2 4 1 46 291.415 5 ↓
Mid Mid (pH 6-8) 2.80 6.04 -8.27 1 4 0 42 290.407 5 ↓

Analogs

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Popular Name: 3-(5-methyl-2-nitro-phenoxy)-1-piperazin-1-yl-propan-1-one 3-(5-methyl-2-nitro-phenoxy)-1-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) 1.25 6.82 -52.66 2 7 1 92 294.331 5 ↓
Mid Mid (pH 6-8) 1.25 5.53 -11.55 1 7 0 87 293.323 5 ↓

Analogs

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Popular Name: 3-(2-chloro-4-nitro-phenoxy)-1-piperazin-1-yl-propan-1-one 3-(2-chloro-4-nitro-phenoxy)-1-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) 1.48 5.95 -53.34 2 7 1 92 314.749 5 ↓
Mid Mid (pH 6-8) 1.48 4.65 -9.44 1 7 0 87 313.741 5 ↓

Analogs

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Popular Name: 3-(5-fluoro-2-nitro-phenoxy)-1-piperazin-1-yl-propan-1-one 3-(5-fluoro-2-nitro-phenoxy)-1-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) 0.96 6.22 -51.37 2 7 1 92 298.294 5 ↓
Mid Mid (pH 6-8) 0.96 4.93 -10.01 1 7 0 87 297.286 5 ↓

Analogs

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Popular Name: 3-(4-chloro-2-nitro-phenoxy)-1-piperazin-1-yl-propan-1-one 3-(4-chloro-2-nitro-phenoxy)-1-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) 1.48 6.67 -52.37 2 7 1 92 314.749 5 ↓
Mid Mid (pH 6-8) 1.48 5.38 -10.06 1 7 0 87 313.741 5 ↓

Analogs

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Popular Name: 3-(2-methyl-3-nitro-phenoxy)-1-piperazin-1-yl-propan-1-one 3-(2-methyl-3-nitro-phenoxy)-1-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) 1.22 6.1 -53.8 2 7 1 92 294.331 5 ↓
Mid Mid (pH 6-8) 1.22 4.8 -10.25 1 7 0 87 293.323 5 ↓

Analogs

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Popular Name: 3-(2-methyl-5-nitro-phenoxy)-1-piperazin-1-yl-propan-1-one 3-(2-methyl-5-nitro-phenoxy)-1-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) 1.25 6.13 -55.66 2 7 1 92 294.331 5 ↓
Mid Mid (pH 6-8) 1.25 4.84 -13.49 1 7 0 87 293.323 5 ↓

Analogs

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Popular Name: 3-(3-methyl-2-nitro-phenoxy)-1-piperazin-1-yl-propan-1-one 3-(3-methyl-2-nitro-phenoxy)-1-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) 1.22 6.26 -53.02 2 7 1 92 294.331 5 ↓
Mid Mid (pH 6-8) 1.22 4.96 -12.08 1 7 0 87 293.323 5 ↓

Analogs

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Popular Name: 3-(2-fluoro-4-nitro-phenoxy)-1-piperazin-1-yl-propan-1-one 3-(2-fluoro-4-nitro-phenoxy)-1-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) 0.96 5.46 -53.47 2 7 1 92 298.294 5 ↓
Mid Mid (pH 6-8) 0.96 4.17 -9.7 1 7 0 87 297.286 5 ↓

Analogs

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Popular Name: 1-piperazin-1-yl-3-(2,4,6-trimethylphenoxy)propan-1-one 1-piperazin-1-yl-3-(2,4,6-trimet…

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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) 2.11 6.98 -50.3 2 4 1 46 277.388 4 ↓
Mid Mid (pH 6-8) 2.11 5.69 -8.7 1 4 0 42 276.38 4 ↓

Analogs

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Popular Name: 3-[4-(hydroxymethyl)phenoxy]-1-piperazin-1-yl-propan-1-one 3-[4-(hydroxymethyl)phenoxy]-1-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) 0.25 2 -52.07 3 5 1 66 265.333 5 ↓
Mid Mid (pH 6-8) 0.25 0.71 -10.32 2 5 0 62 264.325 5 ↓

Analogs

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Popular Name: 3-(2-chloro-4-fluoro-phenoxy)-1-piperazin-1-yl-propan-1-one 3-(2-chloro-4-fluoro-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) 1.68 5.3 -49.67 2 4 1 46 287.742 4 ↓
Mid Mid (pH 6-8) 1.68 4.01 -7.25 1 4 0 42 286.734 4 ↓

Analogs

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Popular Name: 3-(4-bromophenoxy)-1-piperazin-1-yl-propan-1-one 3-(4-bromophenoxy)-1-piperazin-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) 1.72 5.3 -49.9 2 4 1 46 314.203 4 ↓
Mid Mid (pH 6-8) 1.72 4 -7.42 1 4 0 42 313.195 4 ↓

Analogs

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Popular Name: 3-(3-bromophenoxy)-1-piperazin-1-yl-propan-1-one 3-(3-bromophenoxy)-1-piperazin-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) 1.70 5.3 -50.42 2 4 1 46 314.203 4 ↓
Mid Mid (pH 6-8) 1.70 4 -8.64 1 4 0 42 313.195 4 ↓

Analogs

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Popular Name: 3-(3-chlorophenoxy)-1-piperazin-1-yl-propan-1-one 3-(3-chlorophenoxy)-1-piperazin-…

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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) 1.57 5.19 -50.46 2 4 1 46 269.752 4 ↓
Mid Mid (pH 6-8) 1.57 3.9 -8.65 1 4 0 42 268.744 4 ↓

Analogs

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Popular Name: 3-(4-chloro-2-methyl-phenoxy)-1-piperazin-1-yl-propan-1-one 3-(4-chloro-2-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) 1.97 5.94 -50.13 2 4 1 46 283.779 4 ↓
Mid Mid (pH 6-8) 1.97 4.64 -7.6 1 4 0 42 282.771 4 ↓

Analogs

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Popular Name: 3-(2-bromo-4-chloro-phenoxy)-1-piperazin-1-yl-propan-1-one 3-(2-bromo-4-chloro-phenoxy)-1-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) 2.33 5.85 -49.18 2 4 1 46 348.648 4 ↓
Mid Mid (pH 6-8) 2.33 4.56 -6.89 1 4 0 42 347.64 4 ↓

Analogs

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Popular Name: 1-piperazin-1-yl-3-(2,4,5-trichlorophenoxy)propan-1-one 1-piperazin-1-yl-3-(2,4,5-trichl…

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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) 2.80 6.2 -49.33 2 4 1 46 338.642 4 ↓
Mid Mid (pH 6-8) 2.80 4.91 -6.81 1 4 0 42 337.634 4 ↓

Analogs

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Popular Name: 3-(2,6-dibromophenoxy)-1-piperazin-1-yl-propan-1-one 3-(2,6-dibromophenoxy)-1-piperaz…

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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) 2.43 6.16 -49.41 2 4 1 46 393.099 4 ↓
Mid Mid (pH 6-8) 2.43 4.87 -8.83 1 4 0 42 392.091 4 ↓

Analogs

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Popular Name: 3-(2-bromophenoxy)-1-piperazin-1-yl-propan-1-one 3-(2-bromophenoxy)-1-piperazin-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) 1.67 5.34 -49.27 2 4 1 46 314.203 4 ↓
Mid Mid (pH 6-8) 1.67 4.05 -7.93 1 4 0 42 313.195 4 ↓

Analogs

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Popular Name: 3-(4-chloro-2,6-dimethyl-phenoxy)-1-piperazin-1-yl-propan-1-one 3-(4-chloro-2,6-dimethyl-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) 2.34 6.61 -50.5 2 4 1 46 297.806 4 ↓
Mid Mid (pH 6-8) 2.34 5.31 -7.95 1 4 0 42 296.798 4 ↓

Analogs

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Popular Name: 3-(2-bromo-4-fluoro-phenoxy)-1-piperazin-1-yl-propan-1-one 3-(2-bromo-4-fluoro-phenoxy)-1-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) 1.81 5.41 -49.67 2 4 1 46 332.193 4 ↓
Mid Mid (pH 6-8) 1.81 4.12 -7.22 1 4 0 42 331.185 4 ↓

Analogs

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Popular Name: 1-piperazin-1-yl-3-(2,4,6-trichlorophenoxy)propan-1-one 1-piperazin-1-yl-3-(2,4,6-trichl…

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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) 2.80 6.42 -48.56 2 4 1 46 338.642 4 ↓
Mid Mid (pH 6-8) 2.80 5.13 -6.98 1 4 0 42 337.634 4 ↓

Analogs

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Popular Name: 3-(4-bromo-2-chloro-phenoxy)-1-piperazin-1-yl-propan-1-one 3-(4-bromo-2-chloro-phenoxy)-1-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) 2.33 5.85 -49.12 2 4 1 46 348.648 4 ↓
Mid Mid (pH 6-8) 2.33 4.55 -6.84 1 4 0 42 347.64 4 ↓

Analogs

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Popular Name: 3-(4-bromo-2-fluoro-phenoxy)-1-piperazin-1-yl-propan-1-one 3-(4-bromo-2-fluoro-phenoxy)-1-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) 1.81 5.37 -49.62 2 4 1 46 332.193 4 ↓
Mid Mid (pH 6-8) 1.81 4.08 -7.39 1 4 0 42 331.185 4 ↓

Analogs

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Popular Name: 3-(4-iodophenoxy)-1-piperazin-1-yl-propan-1-one 3-(4-iodophenoxy)-1-piperazin-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) 2.00 5.77 -49.62 2 4 1 46 361.203 4 ↓
Mid Mid (pH 6-8) 2.00 4.48 -7.17 1 4 0 42 360.195 4 ↓

Analogs

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Popular Name: 3-(3-iodophenoxy)-1-piperazin-1-yl-propan-1-one 3-(3-iodophenoxy)-1-piperazin-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) 1.97 5.77 -50.16 2 4 1 46 361.203 4 ↓
Mid Mid (pH 6-8) 1.97 4.48 -8.35 1 4 0 42 360.195 4 ↓

Analogs

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Popular Name: 3-(2-chloro-5-methyl-phenoxy)-1-piperazin-1-yl-propan-1-one 3-(2-chloro-5-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) 1.97 5.9 -49.27 2 4 1 46 283.779 4 ↓
Mid Mid (pH 6-8) 1.97 4.6 -7.99 1 4 0 42 282.771 4 ↓

Analogs

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Popular Name: 3-(4-chloro-3-ethyl-phenoxy)-1-piperazin-1-yl-propan-1-one 3-(4-chloro-3-ethyl-phenoxy)-1-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) 2.43 6.47 -49.91 2 4 1 46 297.806 5 ↓
Mid Mid (pH 6-8) 2.43 5.18 -7.47 1 4 0 42 296.798 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-iodophenoxy)-1-piperazin-1-yl-propan-1-one 3-(2-iodophenoxy)-1-piperazin-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) 1.95 5.82 -48.91 2 4 1 46 361.203 4 ↓
Mid Mid (pH 6-8) 1.95 4.53 -7.57 1 4 0 42 360.195 4 ↓

Parameters Provided:

ring.id = 28419
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 = 28419 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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