UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(2-cyano-3-fluoro-phenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(2-cyano-3-fluoro-phenyl)-2-ox…

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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) -0.41 2.88 -50.48 3 6 1 90 277.279 2 ↓
Mid Mid (pH 6-8) -0.41 1.71 -9.11 2 6 0 85 276.271 2 ↓

Analogs

10017436
10017436
10017562
10017562

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Popular Name: N-(4-dimethylaminophenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(4-dimethylaminophenyl)-2-oxo-…

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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) -0.13 2.83 -45.36 3 6 1 69 277.348 3 ↓
Mid Mid (pH 6-8) -0.13 1.62 -6.53 2 6 0 65 276.34 3 ↓

Analogs

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Popular Name: N-(5-cyano-2-isopropoxy-phenyl)-2-(4-isopentylpiperazin-1-yl)-2-oxo-acetamide N-(5-cyano-2-isopropoxy-phenyl)-…

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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 6.52 -7.99 1 7 0 86 386.496 7 ↓
Mid Mid (pH 6-8) 2.49 8.73 -42.67 2 7 1 87 387.504 7 ↓

Analogs

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Popular Name: 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-[3-[isopropyl(methyl)amino]phenyl]-2-oxo-acetamide 2-[4-(2,2-dimethylpropanoyl)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) 2.13 6.95 -10.64 1 7 0 73 388.512 5 ↓
Lo Low (pH 4.5-6) 2.13 7.33 -35.22 2 7 0 74 389.52 5 ↓

Analogs

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Popular Name: N-(2-chloro-5-fluoro-phenyl)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxo-acetamide N-(2-chloro-5-fluoro-phenyl)-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) 1.70 4.18 -7.59 1 5 0 53 349.74 4 ↓
Hi High (pH 8-9.5) 1.88 4.27 -46.02 0 5 -1 59 348.732 4 ↓

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-2-[4-[2-(ethylamino)-2-oxo-ethyl]piperazin-1-yl]-2-oxo-acetamide N-(2,4-dimethylphenyl)-2-[4-[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) 1.17 3.29 -10.74 2 7 0 82 346.431 5 ↓

Analogs

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Popular Name: N-(4-butylphenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(4-butylphenyl)-2-oxo-2-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) 1.63 5.43 -44.61 3 5 1 66 290.387 5 ↓
Mid Mid (pH 6-8) 1.63 4.22 -5.35 2 5 0 61 289.379 5 ↓

Analogs

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Popular Name: 2-oxo-2-piperazin-1-yl-N-(4-propylphenyl)acetamide 2-oxo-2-piperazin-1-yl-N-(4-prop…

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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 4.65 -44.59 3 5 1 66 276.36 4 ↓
Mid Mid (pH 6-8) 1.07 3.44 -5.38 2 5 0 61 275.352 4 ↓

Analogs

15444845
15444845

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Popular Name: N-(3-fluoro-4-methoxy-phenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(3-fluoro-4-methoxy-phenyl)-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) -0.09 1.77 -48.66 3 6 1 75 282.295 3 ↓
Mid Mid (pH 6-8) -0.09 0.58 -9.33 2 6 0 71 281.287 3 ↓

Analogs

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Popular Name: N-(4-bromo-2,6-dimethyl-phenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(4-bromo-2,6-dimethyl-phenyl)-…

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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) 0.39 4.56 -45.64 3 5 1 66 341.229 2 ↓
Mid Mid (pH 6-8) 0.39 3.25 -4.8 2 5 0 61 340.221 2 ↓

Analogs

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Popular Name: N-(2-bromo-4-methyl-phenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(2-bromo-4-methyl-phenyl)-2-ox…

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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 3.83 -44.98 3 5 1 66 327.202 2 ↓
Mid Mid (pH 6-8) 0.95 2.63 -5.11 2 5 0 61 326.194 2 ↓

Analogs

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Popular Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(4-chloro-2-methoxy-5-methyl-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) 0.80 2.93 -45.63 3 6 1 75 312.777 3 ↓
Mid Mid (pH 6-8) 0.80 1.73 -5.56 2 6 0 71 311.769 3 ↓

Analogs

10017070
10017070

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

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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) 0.64 3.45 -46.34 3 5 1 66 302.276 3 ↓
Mid Mid (pH 6-8) 0.64 2.23 -5.31 2 5 0 61 301.268 3 ↓

Analogs

41194248
41194248

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Popular Name: N-(2,4-dichlorophenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(2,4-dichlorophenyl)-2-oxo-2-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) 1.05 3.54 -45.09 3 5 1 66 303.169 2 ↓
Mid Mid (pH 6-8) 1.05 2.35 -3.98 2 5 0 61 302.161 2 ↓

Analogs

41195132
41195132

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Popular Name: N-(4-methylsulfanylphenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(4-methylsulfanylphenyl)-2-oxo…

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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) 0.20 3.43 -46.12 3 5 1 66 280.373 3 ↓
Mid Mid (pH 6-8) 0.20 2.24 -6.36 2 5 0 61 279.365 3 ↓

Analogs

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Popular Name: N-(2,5-difluorophenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(2,5-difluorophenyl)-2-oxo-2-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) 0.02 2.6 -45.26 3 5 1 66 270.259 2 ↓
Mid Mid (pH 6-8) 0.02 1.39 -5.66 2 5 0 61 269.251 2 ↓

Analogs

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Popular Name: N-(4-bromo-3-methyl-phenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(4-bromo-3-methyl-phenyl)-2-ox…

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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 3.62 -45.67 3 5 1 66 327.202 2 ↓
Mid Mid (pH 6-8) 0.95 2.41 -5.09 2 5 0 61 326.194 2 ↓

Analogs

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Popular Name: 2-oxo-2-piperazin-1-yl-N-[4-(trifluoromethyl)phenyl]acetamide 2-oxo-2-piperazin-1-yl-N-[4-(tri…

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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) 0.66 3.43 -46.55 3 5 1 66 302.276 3 ↓
Mid Mid (pH 6-8) 0.66 2.22 -5.58 2 5 0 61 301.268 3 ↓

Analogs

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Popular Name: N-(3,5-dichlorophenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(3,5-dichlorophenyl)-2-oxo-2-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) 1.05 3.46 -45.09 3 5 1 66 303.169 2 ↓
Mid Mid (pH 6-8) 1.05 2.24 -4.46 2 5 0 61 302.161 2 ↓

Analogs

41194187
41194187

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Popular Name: N-(3,4-dichlorophenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(3,4-dichlorophenyl)-2-oxo-2-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) 1.05 3.41 -46.52 3 5 1 66 303.169 2 ↓
Mid Mid (pH 6-8) 1.05 2.19 -6.18 2 5 0 61 302.161 2 ↓

Analogs

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Popular Name: 2-oxo-2-piperazin-1-yl-N-(3-sulfamoylphenyl)acetamide 2-oxo-2-piperazin-1-yl-N-(3-sulf…

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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 -2.61 -53.35 5 8 1 126 313.359 3 ↓
Mid Mid (pH 6-8) -1.57 -3.82 -14.01 4 8 0 122 312.351 3 ↓

Analogs

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Popular Name: 2-oxo-2-piperazin-1-yl-N-(4-sulfamoylphenyl)acetamide 2-oxo-2-piperazin-1-yl-N-(4-sulf…

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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 -2.61 -53.28 5 8 1 126 313.359 3 ↓
Mid Mid (pH 6-8) -1.54 -3.82 -12.6 4 8 0 122 312.351 3 ↓

Analogs

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Popular Name: N-ethyl-N-(o-tolyl)-2-oxo-2-piperazin-1-yl-acetamide N-ethyl-N-(o-tolyl)-2-oxo-2-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) 0.79 5.85 -56.56 2 5 1 57 276.36 3 ↓
Mid Mid (pH 6-8) 0.79 4.56 -10.72 1 5 0 53 275.352 3 ↓

Analogs

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Popular Name: N-(2-chloro-4-fluoro-phenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(2-chloro-4-fluoro-phenyl)-2-o…

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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) 0.53 3.1 -45.48 3 5 1 66 286.714 2 ↓
Mid Mid (pH 6-8) 0.53 1.91 -4.25 2 5 0 61 285.706 2 ↓

Analogs

41194248
41194248

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Popular Name: 2-oxo-2-piperazin-1-yl-N-(2,4,6-trichlorophenyl)acetamide 2-oxo-2-piperazin-1-yl-N-(2,4,6-…

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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) 1.65 3.97 -43.78 3 5 1 66 337.614 2 ↓
Mid Mid (pH 6-8) 1.65 2.85 -4.44 2 5 0 61 336.606 2 ↓

Analogs

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Popular Name: N-(2,6-dibromo-4-methyl-phenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(2,6-dibromo-4-methyl-phenyl)-…

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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) 1.69 4.37 -43.93 3 5 1 66 406.098 2 ↓
Mid Mid (pH 6-8) 1.69 3.25 -5.71 2 5 0 61 405.09 2 ↓

Analogs

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Popular Name: N-(4-bromo-2,6-dichloro-phenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(4-bromo-2,6-dichloro-phenyl)-…

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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 4.08 -43.79 3 5 1 66 382.065 2 ↓
Mid Mid (pH 6-8) 1.78 2.96 -4.34 2 5 0 61 381.057 2 ↓

Analogs

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Popular Name: 2-oxo-2-piperazin-1-yl-N-(2,4,6-tribromophenyl)acetamide 2-oxo-2-piperazin-1-yl-N-(2,4,6-…

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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) 2.05 4.33 -43.75 3 5 1 66 470.967 2 ↓
Mid Mid (pH 6-8) 2.05 3.19 -4.09 2 5 0 61 469.959 2 ↓

Analogs

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Popular Name: N-(4-methylsulfonylphenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(4-methylsulfonylphenyl)-2-oxo…

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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) -1.37 -0.04 -53.59 3 7 1 100 312.371 3 ↓
Mid Mid (pH 6-8) -1.37 -1.24 -13.3 2 7 0 96 311.363 3 ↓

Analogs

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Popular Name: N-(2-fluoro-4-methyl-phenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(2-fluoro-4-methyl-phenyl)-2-o…

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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) 0.30 3.2 -45.5 3 5 1 66 266.296 2 ↓
Mid Mid (pH 6-8) 0.30 1.99 -5.68 2 5 0 61 265.288 2 ↓

Analogs

41194372
41194372

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Popular Name: N-(5-fluoro-2-methyl-phenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(5-fluoro-2-methyl-phenyl)-2-o…

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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) 0.30 3.48 -46.33 3 5 1 66 266.296 2 ↓
Mid Mid (pH 6-8) 0.30 2.17 -6.81 2 5 0 61 265.288 2 ↓

Analogs

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Popular Name: N-(3-fluoro-4-methyl-phenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(3-fluoro-4-methyl-phenyl)-2-o…

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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) 0.30 3.14 -46.27 3 5 1 66 266.296 2 ↓
Mid Mid (pH 6-8) 0.30 1.92 -7.2 2 5 0 61 265.288 2 ↓

Analogs

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Popular Name: N-(4-fluoro-2-methyl-phenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(4-fluoro-2-methyl-phenyl)-2-o…

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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) 0.30 3.47 -46.14 3 5 1 66 266.296 2 ↓
Mid Mid (pH 6-8) 0.30 2.17 -5.29 2 5 0 61 265.288 2 ↓

Analogs

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Popular Name: N-(3,5-difluorophenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(3,5-difluorophenyl)-2-oxo-2-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) 0.02 2.56 -45.81 3 5 1 66 270.259 2 ↓
Mid Mid (pH 6-8) 0.02 1.35 -4.95 2 5 0 61 269.251 2 ↓

Analogs

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Popular Name: N-(3-ethylphenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(3-ethylphenyl)-2-oxo-2-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) 0.65 3.87 -44.6 3 5 1 66 262.333 3 ↓
Mid Mid (pH 6-8) 0.65 2.66 -5.39 2 5 0 61 261.325 3 ↓

Analogs

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Popular Name: N-(3-isopropylphenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(3-isopropylphenyl)-2-oxo-2-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) 1.25 4.35 -44.65 3 5 1 66 276.36 3 ↓
Mid Mid (pH 6-8) 1.25 3.12 -5.22 2 5 0 61 275.352 3 ↓

Analogs

41194257
41194257

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Popular Name: N-(2-chloro-4-methyl-phenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(2-chloro-4-methyl-phenyl)-2-o…

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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) 0.82 3.7 -44.94 3 5 1 66 282.751 2 ↓
Mid Mid (pH 6-8) 0.82 2.51 -5.15 2 5 0 61 281.743 2 ↓

Analogs

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Popular Name: N-(2-fluoro-5-methyl-phenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(2-fluoro-5-methyl-phenyl)-2-o…

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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) 0.30 3.3 -45.77 3 5 1 66 266.296 2 ↓
Mid Mid (pH 6-8) 0.30 1.99 -5.9 2 5 0 61 265.288 2 ↓

Analogs

41194881
41194881

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Popular Name: N-(3-chloro-2-fluoro-phenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(3-chloro-2-fluoro-phenyl)-2-o…

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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) 0.51 3.03 -46.91 3 5 1 66 286.714 2 ↓
Mid Mid (pH 6-8) 0.51 1.82 -5.94 2 5 0 61 285.706 2 ↓

Analogs

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Popular Name: N-[4-(difluoromethoxy)phenyl]-2-oxo-2-piperazin-1-yl-acetamide N-[4-(difluoromethoxy)phenyl]-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) 0.38 1.98 -47.59 3 6 1 75 300.285 4 ↓
Mid Mid (pH 6-8) 0.38 0.79 -8.61 2 6 0 71 299.277 4 ↓

Analogs

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Popular Name: N-[2-(difluoromethoxy)phenyl]-2-oxo-2-piperazin-1-yl-acetamide N-[2-(difluoromethoxy)phenyl]-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) 0.33 2.11 -47.58 3 6 1 75 300.285 4 ↓
Mid Mid (pH 6-8) 0.33 0.89 -7.69 2 6 0 71 299.277 4 ↓

Analogs

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Popular Name: N-(2,3-difluorophenyl)-2-(4-methylpiperazin-1-yl)-2-oxo-acetamide N-(2,3-difluorophenyl)-2-(4-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) 0.59 2.46 -6.27 1 5 0 53 283.278 2 ↓
Mid Mid (pH 6-8) 0.59 4.81 -42.75 2 5 1 54 284.286 2 ↓

Analogs

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

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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) -0.31 2.16 -45.88 3 6 1 75 278.332 4 ↓
Mid Mid (pH 6-8) -0.31 0.95 -6.5 2 6 0 71 277.324 4 ↓

Analogs

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Popular Name: N-[2-(methoxymethyl)phenyl]-2-oxo-2-piperazin-1-yl-acetamide N-[2-(methoxymethyl)phenyl]-2-ox…

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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) -0.33 2.53 -46.34 3 6 1 75 278.332 4 ↓
Mid Mid (pH 6-8) -0.33 1.23 -5.82 2 6 0 71 277.324 4 ↓

Analogs

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Popular Name: N-(4-methoxy-3-methyl-phenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(4-methoxy-3-methyl-phenyl)-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) 0.20 2.45 -46.24 3 6 1 75 278.332 3 ↓
Mid Mid (pH 6-8) 0.20 1.26 -6.45 2 6 0 71 277.324 3 ↓

Analogs

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Popular Name: 2-oxo-2-piperazin-1-yl-N-(2-propylphenyl)acetamide 2-oxo-2-piperazin-1-yl-N-(2-prop…

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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) 1.02 4.95 -44.82 3 5 1 66 276.36 4 ↓
Mid Mid (pH 6-8) 1.02 3.65 -5.27 2 5 0 61 275.352 4 ↓

Analogs

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Popular Name: N-(3-ethoxyphenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(3-ethoxyphenyl)-2-oxo-2-piper…

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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) 0.17 2.65 -46.19 3 6 1 75 278.332 4 ↓
Mid Mid (pH 6-8) 0.17 1.44 -6.29 2 6 0 71 277.324 4 ↓

Analogs

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Popular Name: N-(5-bromo-2-methoxy-phenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(5-bromo-2-methoxy-phenyl)-2-o…

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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) 0.56 2.45 -45.31 3 6 1 75 343.201 3 ↓
Mid Mid (pH 6-8) 0.56 1.24 -6.71 2 6 0 71 342.193 3 ↓

Analogs

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Popular Name: N-(4-fluoro-2-methoxy-phenyl)-2-oxo-2-piperazin-1-yl-acetamide N-(4-fluoro-2-methoxy-phenyl)-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) -0.09 1.91 -45.92 3 6 1 75 282.295 3 ↓
Mid Mid (pH 6-8) -0.09 0.69 -5.69 2 6 0 71 281.287 3 ↓

Parameters Provided:

ring.id = 24183
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 = 24183 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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