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Analogs

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Popular Name: 4-[2-(2,4-dichlorophenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(2,4-dichlorophenyl)-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) 2.24 3.13 -16.7 1 4 0 49 287.146 3 ↓
Mid Mid (pH 6-8) 2.24 5.34 -59.92 2 4 1 51 288.154 3 ↓

Analogs

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Popular Name: 4-[2-(4-fluorophenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(4-fluorophenyl)-2-oxo-ethy…

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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) 1.12 2.18 -15.53 1 4 0 49 236.246 3 ↓
Lo Low (pH 4.5-6) 1.12 4.38 -58.05 2 4 1 51 237.254 3 ↓

Analogs

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Popular Name: 4-[2-(4-bromophenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(4-bromophenyl)-2-oxo-ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.77 2.74 -14.95 1 4 0 49 297.152 3 ↓
Mid Mid (pH 6-8) 1.77 4.94 -57.37 2 4 1 51 298.16 3 ↓

Analogs

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Popular Name: 4-[2-(4-nitrophenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(4-nitrophenyl)-2-oxo-ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.92 2.83 -18.9 1 7 0 95 263.253 4 ↓
Mid Mid (pH 6-8) 0.92 5.03 -67.44 2 7 1 96 264.261 4 ↓

Analogs

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Popular Name: 4-[2-oxo-2-(p-tolyl)ethyl]piperazin-2-one 4-[2-oxo-2-(p-tolyl)ethyl]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) 1.41 2.79 -15.25 1 4 0 49 232.283 3 ↓
Mid Mid (pH 6-8) 1.41 4.99 -53.86 2 4 1 51 233.291 3 ↓

Analogs

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Popular Name: 4-[2-(3-chlorophenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(3-chlorophenyl)-2-oxo-ethy…

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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) 1.61 2.63 -13.33 1 4 0 49 252.701 3 ↓
Mid Mid (pH 6-8) 1.61 4.83 -52.78 2 4 1 51 253.709 3 ↓

Analogs

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Popular Name: 4-[2-(4-methoxyphenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(4-methoxyphenyl)-2-oxo-eth…

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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 1.43 -15.9 1 5 0 59 248.282 4 ↓
Mid Mid (pH 6-8) 1.02 3.63 -55.4 2 5 1 60 249.29 4 ↓

Analogs

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Popular Name: 4-phenacylpiperazin-2-one 4-phenacylpiperazin-2-one

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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 2.11 -15.36 1 4 0 49 218.256 3 ↓
Mid Mid (pH 6-8) 0.96 4.31 -53.83 2 4 1 51 219.264 3 ↓

Analogs

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Popular Name: 4-[2-(3-bromophenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(3-bromophenyl)-2-oxo-ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.74 2.74 -13.2 1 4 0 49 297.152 3 ↓
Mid Mid (pH 6-8) 1.74 4.94 -52.59 2 4 1 51 298.16 3 ↓

Analogs

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Popular Name: 4-[2-(2-fluorophenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(2-fluorophenyl)-2-oxo-ethy…

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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 2.19 -19.81 1 4 0 49 236.246 3 ↓
Mid Mid (pH 6-8) 1.07 4.39 -58.57 2 4 1 51 237.254 3 ↓

Analogs

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Popular Name: 4-[(1S)-2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl]piperazin-2-one 4-[(1S)-2-(3-chlorophenyl)-1-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) 1.94 2.78 -16.58 1 4 0 49 266.728 3 ↓
Mid Mid (pH 6-8) 1.94 5.15 -47.88 2 4 1 51 267.736 3 ↓

Analogs

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Popular Name: 4-[(1R)-2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl]piperazin-2-one 4-[(1R)-2-(3-chlorophenyl)-1-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) 1.94 3.05 -16.18 1 4 0 49 266.728 3 ↓
Mid Mid (pH 6-8) 1.94 5.2 -52.67 2 4 1 51 267.736 3 ↓

Analogs

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Popular Name: 4-[2-(2-bromophenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(2-bromophenyl)-2-oxo-ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.72 2.74 -16.73 1 4 0 49 297.152 3 ↓
Mid Mid (pH 6-8) 1.72 4.94 -56.26 2 4 1 51 298.16 3 ↓

Analogs

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Popular Name: 4-[2-(2-methoxyphenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(2-methoxyphenyl)-2-oxo-eth…

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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) 0.97 2.59 -18.18 1 5 0 59 248.282 4 ↓
Mid Mid (pH 6-8) 0.97 4.78 -54.74 2 5 1 60 249.29 4 ↓

Analogs

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Popular Name: 4-[2-(2,5-dichlorophenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(2,5-dichlorophenyl)-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) 2.24 3.14 -14.5 1 4 0 49 287.146 3 ↓
Mid Mid (pH 6-8) 2.24 5.35 -54.8 2 4 1 51 288.154 3 ↓

Analogs

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Popular Name: 4-[2-(3,4-difluorophenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(3,4-difluorophenyl)-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) 1.21 2.23 -14.56 1 4 0 49 254.236 3 ↓
Mid Mid (pH 6-8) 1.21 4.43 -58.57 2 4 1 51 255.244 3 ↓

Analogs

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Popular Name: 4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazin-2-one 4-[2-oxo-2-(2,4,6-trimethylpheny…

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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) 2.16 4.11 -13.7 1 4 0 49 260.337 3 ↓
Mid Mid (pH 6-8) 2.16 6.29 -50.82 2 4 1 51 261.345 3 ↓

Analogs

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Popular Name: 4-[2-oxo-2-(4-propylphenyl)ethyl]piperazin-2-one 4-[2-oxo-2-(4-propylphenyl)ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.26 4.33 -14.92 1 4 0 49 260.337 5 ↓
Mid Mid (pH 6-8) 2.26 6.53 -53.89 2 4 1 51 261.345 5 ↓

Analogs

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Popular Name: 4-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]piperazin-2-one 4-[2-oxo-2-(2,4,5-trimethylpheny…

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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) 2.16 4.01 -13.94 1 4 0 49 260.337 3 ↓
Mid Mid (pH 6-8) 2.16 6.22 -53.09 2 4 1 51 261.345 3 ↓

Analogs

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Popular Name: 4-[2-(3-methoxyphenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(3-methoxyphenyl)-2-oxo-eth…

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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) 0.99 1.41 -18.5 1 5 0 59 248.282 4 ↓
Mid Mid (pH 6-8) 0.99 3.61 -57.86 2 5 1 60 249.29 4 ↓

Analogs

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Popular Name: 4-[2-(2-chlorophenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(2-chlorophenyl)-2-oxo-ethy…

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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) 1.59 2.62 -17.2 1 4 0 49 252.701 3 ↓
Mid Mid (pH 6-8) 1.59 4.83 -56.59 2 4 1 51 253.709 3 ↓

Analogs

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Popular Name: 4-[2-(2,5-difluorophenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(2,5-difluorophenyl)-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) 1.21 2.26 -16.82 1 4 0 49 254.236 3 ↓
Mid Mid (pH 6-8) 1.21 4.46 -57.05 2 4 1 51 255.244 3 ↓

Analogs

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Popular Name: 4-[(1S)-2-(3,4-difluorophenyl)-1-methyl-2-oxo-ethyl]piperazin-2-one 4-[(1S)-2-(3,4-difluorophenyl)-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) 1.54 2.4 -18.14 1 4 0 49 268.263 3 ↓
Mid Mid (pH 6-8) 1.54 4.75 -53.46 2 4 1 51 269.271 3 ↓

Analogs

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Popular Name: 4-[(1R)-2-(3,4-difluorophenyl)-1-methyl-2-oxo-ethyl]piperazin-2-one 4-[(1R)-2-(3,4-difluorophenyl)-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) 1.54 2.67 -17.59 1 4 0 49 268.263 3 ↓
Mid Mid (pH 6-8) 1.54 4.81 -58.06 2 4 1 51 269.271 3 ↓

Analogs

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Popular Name: 4-[2-(4-ethoxyphenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(4-ethoxyphenyl)-2-oxo-ethy…

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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) 1.39 2.35 -15.67 1 5 0 59 262.309 5 ↓
Lo Low (pH 4.5-6) 1.39 4.55 -55.29 2 5 1 60 263.317 5 ↓

Analogs

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Popular Name: 4-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(2,5-dimethylphenyl)-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) 1.78 3.46 -13.82 1 4 0 49 246.31 3 ↓
Lo Low (pH 4.5-6) 1.78 5.67 -53.22 2 4 1 51 247.318 3 ↓

Analogs

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Popular Name: 4-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(2,4-dimethylphenyl)-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) 1.78 3.46 -14.11 1 4 0 49 246.31 3 ↓
Mid Mid (pH 6-8) 1.78 5.67 -53.4 2 4 1 51 247.318 3 ↓

Analogs

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Popular Name: 4-[2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(3-bromo-4-methoxy-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) 1.75 2.1 -14.64 1 5 0 59 327.178 4 ↓
Mid Mid (pH 6-8) 1.75 4.3 -54.44 2 5 1 60 328.186 4 ↓

Analogs

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Popular Name: 4-[2-(4-isopropylphenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(4-isopropylphenyl)-2-oxo-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) 2.47 4.03 -14.88 1 4 0 49 260.337 4 ↓
Mid Mid (pH 6-8) 2.47 6.23 -53.77 2 4 1 51 261.345 4 ↓

Analogs

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Popular Name: 4-[2-(4-iodophenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(4-iodophenyl)-2-oxo-ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.04 3.21 -14.74 1 4 0 49 344.152 3 ↓
Mid Mid (pH 6-8) 2.04 5.41 -57.21 2 4 1 51 345.16 3 ↓

Analogs

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Popular Name: 4-[2-(3-chloro-4-methoxy-phenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(3-chloro-4-methoxy-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) 1.62 1.99 -14.81 1 5 0 59 282.727 4 ↓
Mid Mid (pH 6-8) 1.62 4.19 -54.82 2 5 1 60 283.735 4 ↓

Analogs

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Popular Name: 4-[2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(3-fluoro-4-methoxy-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) 1.11 1.51 -15.52 1 5 0 59 266.272 4 ↓
Mid Mid (pH 6-8) 1.11 3.71 -56.45 2 5 1 60 267.28 4 ↓

Analogs

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Popular Name: 4-[2-(2,6-difluorophenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(2,6-difluorophenyl)-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) 1.19 2.15 -16.28 1 4 0 49 254.236 3 ↓
Mid Mid (pH 6-8) 1.19 4.34 -47.53 2 4 1 51 255.244 3 ↓

Analogs

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Popular Name: 4-[2-(3-fluorophenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(3-fluorophenyl)-2-oxo-ethy…

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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) 1.10 2.18 -13.63 1 4 0 49 236.246 3 ↓
Mid Mid (pH 6-8) 1.10 4.38 -53.65 2 4 1 51 237.254 3 ↓

Analogs

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Popular Name: 4-[2-(4-hydroxyphenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(4-hydroxyphenyl)-2-oxo-eth…

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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) 0.48 -0.72 -16.84 2 5 0 70 234.255 3 ↓
Hi High (pH 8-9.5) 0.48 0.06 -50.48 1 5 -1 72 233.247 3 ↓
Mid Mid (pH 6-8) 0.48 1.48 -57.09 3 5 1 71 235.263 3 ↓

Analogs

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Popular Name: 4-[2-(4-ethylphenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(4-ethylphenyl)-2-oxo-ethyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.87 3.55 -15 1 4 0 49 246.31 4 ↓
Mid Mid (pH 6-8) 1.87 5.75 -53.9 2 4 1 51 247.318 4 ↓

Analogs

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Popular Name: 4-[2-(4-methylsulfanylphenyl)-2-oxo-ethyl]piperazin-2-one 4-[2-(4-methylsulfanylphenyl)-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) 1.39 3.13 -15.33 1 4 0 49 264.35 4 ↓
Mid Mid (pH 6-8) 1.39 5.33 -55.54 2 4 1 51 265.358 4 ↓

Parameters Provided:

ring.id = 581156
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 = 581156 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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