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Analogs

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Popular Name: N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]-2-piperazin-1-yl-acetamide N-[(1S)-2-(4-fluorophenyl)-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) 1.54 4.2 -43.45 3 4 1 49 280.367 5 ↓
Hi High (pH 8-9.5) 1.54 2.83 -10.72 2 4 0 44 279.359 5 ↓

Analogs

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Popular Name: N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]-2-piperazin-1-yl-acetamide N-[(1R)-2-(4-fluorophenyl)-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) 1.54 4.19 -44.16 3 4 1 49 280.367 5 ↓
Hi High (pH 8-9.5) 1.54 2.82 -10.72 2 4 0 44 279.359 5 ↓

Analogs

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Popular Name: (2R)-N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]-2-piperazin-1-yl-propanamide (2R)-N-[(1S)-2-(4-fluorophenyl)-…

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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 4.53 -43.57 3 4 1 49 294.394 5 ↓
Hi High (pH 8-9.5) 1.37 3.18 -10.69 2 4 0 44 293.386 5 ↓

Analogs

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Popular Name: (2R)-N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]-2-piperazin-1-yl-propanamide (2R)-N-[(1R)-2-(4-fluorophenyl)-…

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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 4.52 -43.44 3 4 1 49 294.394 5 ↓
Hi High (pH 8-9.5) 1.37 3.17 -10.67 2 4 0 44 293.386 5 ↓

Analogs

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Popular Name: (2S)-N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]-2-piperazin-1-yl-propanamide (2S)-N-[(1S)-2-(4-fluorophenyl)-…

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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 4.58 -43.05 3 4 1 49 294.394 5 ↓
Hi High (pH 8-9.5) 1.37 3.23 -10.76 2 4 0 44 293.386 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]-2-piperazin-1-yl-propanamide (2S)-N-[(1R)-2-(4-fluorophenyl)-…

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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 4.57 -43.76 3 4 1 49 294.394 5 ↓
Hi High (pH 8-9.5) 1.37 3.22 -10.72 2 4 0 44 293.386 5 ↓

Analogs

13133967
13133967

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Popular Name: N-[2-(2,4-dichlorophenyl)ethyl]-2-piperazin-1-yl-acetamide N-[2-(2,4-dichlorophenyl)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) 2.33 3.99 -43.54 3 4 1 49 317.24 5 ↓
Hi High (pH 8-9.5) 2.33 2.58 -11.76 2 4 0 44 316.232 5 ↓
Lo Low (pH 4.5-6) 2.33 6.21 -119.15 4 4 2 50 318.248 5 ↓

Analogs

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Popular Name: N-[2-(4-isopropylphenyl)ethyl]-2-(4-methylpiperazin-1-yl)acetamide N-[2-(4-isopropylphenyl)ethyl]-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) 3.16 7.24 -38.62 2 4 1 37 304.458 6 ↓
Hi High (pH 8-9.5) 3.16 4.86 -9.29 1 4 0 36 303.45 6 ↓

Analogs

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Popular Name: N-[2-(2-methoxyphenyl)ethyl]-2-(4-methylpiperazin-1-yl)acetamide N-[2-(2-methoxyphenyl)ethyl]-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) 1.65 4.67 -39.48 2 5 1 46 292.403 6 ↓
Hi High (pH 8-9.5) 1.65 2.29 -10.62 1 5 0 45 291.395 6 ↓

Analogs

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Popular Name: N-[2-(2-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)acetamide N-[2-(2-fluorophenyl)ethyl]-2-(4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 5.36 -39.34 2 4 1 37 280.367 5 ↓
Hi High (pH 8-9.5) 1.76 2.98 -10.63 1 4 0 36 279.359 5 ↓

Analogs

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Popular Name: N-[2-(4-tert-butylphenyl)ethyl]-2-[4-(2,2-difluoroethyl)piperazin-1-yl]acetamide N-[2-(4-tert-butylphenyl)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) 3.92 6.42 -12.03 1 4 0 36 367.484 8 ↓
Lo Low (pH 4.5-6) 3.92 8.55 -39.18 2 4 1 37 368.492 8 ↓

Analogs

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Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide 2-[4-(2,2-difluoroethyl)piperazi…

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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) 3.42 5.81 -12.6 1 4 0 36 353.457 7 ↓
Lo Low (pH 4.5-6) 3.42 7.95 -40.06 2 4 1 37 354.465 7 ↓

Analogs

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Popular Name: (2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (2S)-2-[4-(2,2-difluoroethyl)pip…

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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 3.69 -15.31 1 6 0 54 385.455 9 ↓
Lo Low (pH 4.5-6) 1.69 5.81 -46.28 2 6 1 55 386.463 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (2R)-2-[4-(2,2-difluoroethyl)pip…

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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 3.63 -16.46 1 6 0 54 385.455 9 ↓
Lo Low (pH 4.5-6) 1.69 5.74 -43.43 2 6 1 55 386.463 9 ↓

Analogs

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Popular Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-2-[4-(2,2-difluoroethyl)piperazin-1-yl]acetamide N-[2-(4-tert-butyl-2,6-dimethyl-…

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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) 4.67 7.37 -12.09 1 4 0 36 395.538 8 ↓
Lo Low (pH 4.5-6) 4.67 9.51 -39.47 2 4 1 37 396.546 8 ↓

Analogs

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Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[2-(o-tolyl)ethyl]acetamide 2-[4-(2,2-difluoroethyl)piperazi…

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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) 2.62 4.56 -12.24 1 4 0 36 325.403 7 ↓
Lo Low (pH 4.5-6) 2.62 6.69 -39.76 2 4 1 37 326.411 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide 2-[4-(2,2-difluoroethyl)piperazi…

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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) 1.86 3.29 -16.66 1 6 0 54 371.428 9 ↓
Lo Low (pH 4.5-6) 1.86 5.43 -44.54 2 6 1 55 372.436 9 ↓

Analogs

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Popular Name: (2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide (2S)-2-[4-(2,2-difluoroethyl)pip…

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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) 2.21 4.56 -12.15 1 4 0 36 343.393 7 ↓
Lo Low (pH 4.5-6) 2.21 6.68 -43.13 2 4 1 37 344.401 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide (2R)-2-[4-(2,2-difluoroethyl)pip…

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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) 2.21 4.5 -13.22 1 4 0 36 343.393 7 ↓
Lo Low (pH 4.5-6) 2.21 6.61 -40.38 2 4 1 37 344.401 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide 2-[4-(2,2-difluoroethyl)piperazi…

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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) 2.38 4.16 -13.55 1 4 0 36 329.366 7 ↓
Lo Low (pH 4.5-6) 2.38 6.3 -41.39 2 4 1 37 330.374 7 ↓

Analogs

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Popular Name: 4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethyl]piperazine-1-carboxamide 4-[2-[2-(4-methoxyphenyl)ethylam…

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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) 0.98 1.09 -18.45 3 7 0 88 320.393 6 ↓

Analogs

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Popular Name: N-[2-(2,6-difluorophenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide N-[2-(2,6-difluorophenyl)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) 1.25 0.46 -12.14 2 5 0 56 327.375 7 ↓
Mid Mid (pH 6-8) 1.25 2.81 -36.91 3 5 1 57 328.383 7 ↓

Analogs

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Popular Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide 2-[4-(2-hydroxyethyl)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) 2.21 2.12 -11.83 2 5 0 56 333.476 7 ↓
Mid Mid (pH 6-8) 2.21 4.47 -37.59 3 5 1 57 334.484 7 ↓

Analogs

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Popular Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1R)-1-methyl-2-(o-tolyl)ethyl]acetamide 2-[4-(2-hydroxyethyl)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) 1.74 1.74 -11.29 2 5 0 56 319.449 7 ↓
Mid Mid (pH 6-8) 1.74 4.1 -35.67 3 5 1 57 320.457 7 ↓

Analogs

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Popular Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-methyl-2-(o-tolyl)ethyl]acetamide 2-[4-(2-hydroxyethyl)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) 1.74 1.81 -11.2 2 5 0 56 319.449 7 ↓
Mid Mid (pH 6-8) 1.74 4.16 -36.13 3 5 1 57 320.457 7 ↓

Analogs

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Popular Name: 2-[4-(2-methoxyethyl)piperazin-1-yl]-N-phenethyl-acetamide 2-[4-(2-methoxyethyl)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) 1.63 5.16 -36.76 2 5 1 46 306.43 8 ↓
Mid Mid (pH 6-8) 1.63 2.8 -10.47 1 5 0 45 305.422 8 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide N-[2-(4-chlorophenyl)ethyl]-2-[4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.06 1.81 -11.5 2 5 0 56 339.867 7 ↓
Mid Mid (pH 6-8) 2.06 4.06 -37.85 3 5 1 57 340.875 7 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenyl)ethyl]-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]acetamide N-[2-(4-chlorophenyl)ethyl]-2-[4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.06 1.75 -10.88 2 5 0 56 339.867 7 ↓
Mid Mid (pH 6-8) 2.06 4.07 -37.8 3 5 1 57 340.875 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[4-(2-methoxyethyl)piperazin-1-yl]-N-phenethyl-propanamide (2S)-2-[4-(2-methoxyethyl)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) 1.46 5.49 -36.6 2 5 1 46 320.457 8 ↓
Mid Mid (pH 6-8) 1.46 3.14 -10.08 1 5 0 45 319.449 8 ↓

Analogs

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Popular Name: (2R)-2-[4-(2-methoxyethyl)piperazin-1-yl]-N-phenethyl-propanamide (2R)-2-[4-(2-methoxyethyl)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) 1.46 5.47 -35.79 2 5 1 46 320.457 8 ↓
Mid Mid (pH 6-8) 1.46 3.15 -10.1 1 5 0 45 319.449 8 ↓

Analogs

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Popular Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide 2-[4-(2-hydroxyethyl)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) 1.05 -0.31 -13.09 2 6 0 65 321.421 8 ↓
Mid Mid (pH 6-8) 1.05 2.05 -38.68 3 6 1 66 322.429 8 ↓

Analogs

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Popular Name: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide (2S)-N-[2-(4-fluorophenyl)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) 1.37 1.76 -11.87 2 5 0 56 337.439 7 ↓
Mid Mid (pH 6-8) 1.37 4 -40.95 3 5 1 57 338.447 7 ↓

Analogs

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Popular Name: (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide (2S)-N-[2-(4-fluorophenyl)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) 1.37 1.67 -12.28 2 5 0 56 337.439 7 ↓
Mid Mid (pH 6-8) 1.37 3.93 -40.12 3 5 1 57 338.447 7 ↓

Analogs

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Popular Name: (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide (2R)-N-[2-(4-fluorophenyl)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) 1.37 1.58 -12.11 2 5 0 56 337.439 7 ↓
Mid Mid (pH 6-8) 1.37 3.88 -39.55 3 5 1 57 338.447 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide (2R)-N-[2-(4-fluorophenyl)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) 1.37 1.66 -11.69 2 5 0 56 337.439 7 ↓
Mid Mid (pH 6-8) 1.37 3.93 -40.54 3 5 1 57 338.447 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[2-(o-tolyl)ethyl]acetamide 2-[4-(2-methoxyethyl)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) 2.03 5.62 -36.95 2 5 1 46 320.457 8 ↓
Mid Mid (pH 6-8) 2.03 3.27 -10.5 1 5 0 45 319.449 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide 2-[4-(2-hydroxyethyl)piperazin-1…

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Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.02 -0.24 -12.61 2 6 0 65 321.421 8 ↓
Mid Mid (pH 6-8) 1.02 2.11 -37.65 3 6 1 66 322.429 8 ↓

Analogs

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Popular Name: (2R)-2-[(3R)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]-N-[2-(o-tolyl)ethyl]propanamide (2R)-2-[(3R)-4-(2-methoxyethyl)-…

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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) 2.19 6.74 -35.51 2 5 1 46 348.511 8 ↓
Mid Mid (pH 6-8) 2.19 4.58 -10.87 1 5 0 45 347.503 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(3R)-4-(2-methoxyethyl)-3-methyl-piperazin-1-yl]-N-[2-(o-tolyl)ethyl]propanamide (2S)-2-[(3R)-4-(2-methoxyethyl)-…

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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) 2.19 6.77 -35.2 2 5 1 46 348.511 8 ↓
Mid Mid (pH 6-8) 2.19 4.52 -9.63 1 5 0 45 347.503 8 ↓

Analogs

23253580
23253580
7613247
7613247
19589991
19589991

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-phenethyl-2-piperazin-1-yl-acetamide N-ethyl-N-phenethyl-2-piperazin-…

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Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.17 6.1 -42.3 2 4 1 40 276.404 6 ↓
Hi High (pH 8-9.5) 1.17 4.74 -8.85 1 4 0 36 275.396 6 ↓

Analogs

23253580
23253580
7613247
7613247
19589991
19589991

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-phenethyl-2-piperazin-1-yl-acetamide N-methyl-N-phenethyl-2-piperazin…

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) 0.79 5.19 -42.55 2 4 1 40 262.377 5 ↓
Hi High (pH 8-9.5) 0.79 3.82 -9.32 1 4 0 36 261.369 5 ↓

Parameters Provided:

ring.id = 15337
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 = 15337 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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