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Analogs

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Popular Name: (2R)-N-[(1S)-1-(2-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-yl-propanamide (2R)-N-[(1S)-1-(2-chlorophenyl)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) 1.91 5.33 -41.11 2 4 1 40 310.849 4 ↓
Hi High (pH 8-9.5) 1.91 3.98 -9.33 1 4 0 36 309.841 4 ↓

Analogs

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Popular Name: (2R)-N-[(1R)-1-(2-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-yl-propanamide (2R)-N-[(1R)-1-(2-chlorophenyl)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) 1.91 5.33 -41.15 2 4 1 40 310.849 4 ↓
Hi High (pH 8-9.5) 1.91 3.98 -9.34 1 4 0 36 309.841 4 ↓

Analogs

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Popular Name: (2S)-N-[(1S)-1-(2-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-yl-propanamide (2S)-N-[(1S)-1-(2-chlorophenyl)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) 1.91 5.32 -40.44 2 4 1 40 310.849 4 ↓
Hi High (pH 8-9.5) 1.91 3.98 -9.24 1 4 0 36 309.841 4 ↓

Analogs

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Popular Name: (2S)-N-[(1R)-1-(2-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-yl-propanamide (2S)-N-[(1R)-1-(2-chlorophenyl)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) 1.91 5.6 -40.99 2 4 1 40 310.849 4 ↓
Hi High (pH 8-9.5) 1.91 4.24 -8.71 1 4 0 36 309.841 4 ↓

Analogs

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Popular Name: (2R)-N-[(1S)-1-(3-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-yl-propanamide (2R)-N-[(1S)-1-(3-chlorophenyl)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) 1.93 6.03 -42.04 2 4 1 40 310.849 4 ↓
Hi High (pH 8-9.5) 1.93 4.7 -7.56 1 4 0 36 309.841 4 ↓

Analogs

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Popular Name: (2R)-N-[(1R)-1-(3-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-yl-propanamide (2R)-N-[(1R)-1-(3-chlorophenyl)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) 1.93 5.3 -41.59 2 4 1 40 310.849 4 ↓
Hi High (pH 8-9.5) 1.93 3.96 -7.75 1 4 0 36 309.841 4 ↓

Analogs

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Popular Name: (2S)-N-[(1S)-1-(3-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-yl-propanamide (2S)-N-[(1S)-1-(3-chlorophenyl)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) 1.93 5.26 -41 2 4 1 40 310.849 4 ↓
Hi High (pH 8-9.5) 1.93 3.91 -7.54 1 4 0 36 309.841 4 ↓

Analogs

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Popular Name: (2S)-N-[(1R)-1-(3-chlorophenyl)ethyl]-N-methyl-2-piperazin-1-yl-propanamide (2S)-N-[(1R)-1-(3-chlorophenyl)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) 1.93 5.02 -41.93 2 4 1 40 310.849 4 ↓
Hi High (pH 8-9.5) 1.93 3.67 -8.1 1 4 0 36 309.841 4 ↓

Analogs

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Popular Name: (2R)-N-[(1S)-1-(2-fluorophenyl)ethyl]-N-methyl-2-piperazin-1-yl-propanamide (2R)-N-[(1S)-1-(2-fluorophenyl)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) 1.39 4.95 -43.14 2 4 1 40 294.394 4 ↓
Hi High (pH 8-9.5) 1.39 3.61 -12.21 1 4 0 36 293.386 4 ↓

Analogs

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Popular Name: (2R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-2-piperazin-1-yl-propanamide (2R)-N-[(1R)-1-(2-fluorophenyl)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) 1.39 4.97 -43.38 2 4 1 40 294.394 4 ↓
Hi High (pH 8-9.5) 1.39 3.62 -11.97 1 4 0 36 293.386 4 ↓

Analogs

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Popular Name: (2S)-N-[(1S)-1-(2-fluorophenyl)ethyl]-N-methyl-2-piperazin-1-yl-propanamide (2S)-N-[(1S)-1-(2-fluorophenyl)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) 1.39 4.91 -42.37 2 4 1 40 294.394 4 ↓
Hi High (pH 8-9.5) 1.39 3.57 -11.64 1 4 0 36 293.386 4 ↓

Analogs

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Popular Name: (2S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-2-piperazin-1-yl-propanamide (2S)-N-[(1R)-1-(2-fluorophenyl)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) 1.39 5.41 -41.84 2 4 1 40 294.394 4 ↓
Hi High (pH 8-9.5) 1.39 4.06 -9.85 1 4 0 36 293.386 4 ↓

Analogs

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Popular Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-N-methyl-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) 0.41 0.99 -11.82 1 6 0 56 321.421 7 ↓
Mid Mid (pH 6-8) 0.41 3.34 -36.94 2 6 1 57 322.429 7 ↓

Analogs

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Popular Name: (2R)-2-phenyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic (2R)-2-phenyl-2-[(2-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) 0.52 4.18 -74.73 3 6 0 89 291.351 5 ↓
Hi High (pH 8-9.5) 0.52 2.82 -57.06 2 6 -1 84 290.343 5 ↓

Analogs

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Popular Name: (2S)-2-phenyl-2-[(2-piperazin-1-ylacetyl)amino]propanoic (2S)-2-phenyl-2-[(2-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) 0.52 4.18 -72.06 3 6 0 89 291.351 5 ↓
Hi High (pH 8-9.5) 0.52 2.82 -57.12 2 6 -1 84 290.343 5 ↓

Analogs

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Popular Name: N-[(3-nitrophenyl)methyl]-2-piperazin-1-yl-acetamide N-[(3-nitrophenyl)methyl]-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) 0.58 3.06 -47.7 3 7 1 95 279.32 5 ↓
Hi High (pH 8-9.5) 0.58 1.69 -12.37 2 7 0 90 278.312 5 ↓

Analogs

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Popular Name: (2S)-N-[(3-nitrophenyl)methyl]-2-piperazin-1-yl-propanamide (2S)-N-[(3-nitrophenyl)methyl]-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) 0.41 3.39 -46.82 3 7 1 95 293.347 5 ↓
Hi High (pH 8-9.5) 0.41 2.03 -11.94 2 7 0 90 292.339 5 ↓

Analogs

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Popular Name: (2R)-N-[(3-nitrophenyl)methyl]-2-piperazin-1-yl-propanamide (2R)-N-[(3-nitrophenyl)methyl]-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) 0.41 3.39 -46.95 3 7 1 95 293.347 5 ↓
Hi High (pH 8-9.5) 0.41 2.04 -12.26 2 7 0 90 292.339 5 ↓

Analogs

15454181
15454181
15454182
15454182

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Popular Name: (2S)-2-[4-[2-(diethylamino)-2-oxo-ethyl]piperazin-1-yl]-N-(p-tolylmethyl)propanamide (2S)-2-[4-[2-(diethylamino)-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) 1.62 5.63 -11.38 1 6 0 56 374.529 8 ↓
Lo Low (pH 4.5-6) 1.62 7.83 -37.66 2 6 1 57 375.537 8 ↓

Analogs

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Popular Name: (2R)-2-[4-[2-(diethylamino)-2-oxo-ethyl]piperazin-1-yl]-N-(p-tolylmethyl)propanamide (2R)-2-[4-[2-(diethylamino)-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) 1.62 5.57 -11.14 1 6 0 56 374.529 8 ↓
Lo Low (pH 4.5-6) 1.62 7.75 -37.15 2 6 1 57 375.537 8 ↓

Analogs

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Popular Name: N-benzyl-2-(4-ethylsulfonylpiperazin-1-yl)acetamide N-benzyl-2-(4-ethylsulfonylpiper…

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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 2.12 -13.42 1 6 0 70 325.434 6 ↓

Analogs

37808129
37808129
37808130
37808130

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Popular Name: 2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide 2-(4-acetylpiperazin-1-yl)-N-[(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) 2.08 5.8 -14.55 1 5 0 53 317.433 5 ↓

Analogs

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Popular Name: ethyl 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) 1.58 4.03 -12.4 1 7 0 71 349.431 7 ↓

Analogs

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Popular Name: ethyl 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) 1.58 3.97 -12.35 1 7 0 71 349.431 7 ↓

Analogs

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Popular Name: N-benzyl-2-[4-(4-cyanobutylsulfonyl)piperazin-1-yl]acetamide N-benzyl-2-[4-(4-cyanobutylsulfo…

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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) 0.85 4.19 -19.14 1 7 0 94 378.498 9 ↓

Analogs

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Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[(4-dimethylaminophenyl)methyl]-N-methyl-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) 1.66 5.81 -12.8 0 5 0 30 354.445 7 ↓
Lo Low (pH 4.5-6) 1.66 6.56 -26.88 1 5 0 31 355.453 7 ↓
Lo Low (pH 4.5-6) 1.66 7.95 -38.73 1 5 1 31 355.453 7 ↓

Analogs

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Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[(4-isopropoxyphenyl)methyl]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) 2.61 4.18 -11.2 1 5 0 45 355.429 8 ↓
Lo Low (pH 4.5-6) 2.61 6.35 -38.9 2 5 1 46 356.437 8 ↓

Analogs

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Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]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) 3.34 3.96 -11.36 1 5 0 45 395.372 8 ↓
Lo Low (pH 4.5-6) 3.34 6.11 -39.98 2 5 1 46 396.38 8 ↓

Analogs

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Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]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) 3.34 3.96 -11.56 1 5 0 45 395.372 8 ↓
Lo Low (pH 4.5-6) 3.34 6.1 -39.71 2 5 1 46 396.38 8 ↓

Analogs

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Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[[3-(difluoromethoxy)-4-methoxy-phenyl]methyl]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) 2.01 2.81 -15.23 1 6 0 54 393.381 9 ↓
Lo Low (pH 4.5-6) 2.01 4.95 -42.2 2 6 1 55 394.389 9 ↓

Analogs

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Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[(4-ethoxy-3-methoxy-phenyl)methyl]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) 1.83 3.44 -13.57 1 6 0 54 371.428 9 ↓
Lo Low (pH 4.5-6) 1.83 5.58 -41.97 2 6 1 55 372.436 9 ↓

Analogs

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Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]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) 1.76 3.06 -11.22 1 5 0 45 341.402 8 ↓
Lo Low (pH 4.5-6) 1.76 5.19 -38.77 2 5 1 46 342.41 8 ↓

Analogs

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Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[(1R)-1-(4-isopropoxy-3-methoxy-phenyl)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) 2.75 4.96 -14.53 1 6 0 54 399.482 9 ↓
Lo Low (pH 4.5-6) 2.75 7.04 -42.47 2 6 1 55 400.49 9 ↓

Analogs

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Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[(1S)-1-(4-isopropoxy-3-methoxy-phenyl)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) 2.75 4.97 -14.27 1 6 0 54 399.482 9 ↓
Lo Low (pH 4.5-6) 2.75 7.05 -42.87 2 6 1 55 400.49 9 ↓

Analogs

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Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[(3-methoxy-4-propoxy-phenyl)methyl]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) 2.34 4.24 -13.24 1 6 0 54 385.455 10 ↓
Lo Low (pH 4.5-6) 2.34 6.38 -41.75 2 6 1 55 386.463 10 ↓

Analogs

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Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[(1R)-1-(4-ethoxy-3-methoxy-phenyl)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) 2.39 4.29 -14.64 1 6 0 54 385.455 9 ↓
Lo Low (pH 4.5-6) 2.39 6.42 -42.62 2 6 1 55 386.463 9 ↓

Analogs

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Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[(1S)-1-(4-ethoxy-3-methoxy-phenyl)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) 2.39 4.29 -14.36 1 6 0 54 385.455 9 ↓
Lo Low (pH 4.5-6) 2.39 6.42 -42.93 2 6 1 55 386.463 9 ↓

Analogs

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Popular Name: N-[4-[[[2-[4-(2,2-difluoroethyl)piperazin-1-yl]acetyl]amino]methyl]phenyl]butanamide N-[4-[[[2-[4-(2,2-difluoroethyl)…

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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 3.82 -16.01 2 6 0 65 382.455 9 ↓
Lo Low (pH 4.5-6) 2.43 5.94 -42.67 3 6 1 66 383.463 9 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.52 1.57 -14.7 2 7 0 74 370.4 8 ↓
Lo Low (pH 4.5-6) 1.52 3.68 -41.86 3 7 1 75 371.408 8 ↓

Analogs

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Popular Name: 3-[[[2-[4-(2,2-difluoroethyl)piperazin-1-yl]acetyl]amino]methyl]-N-[(1R)-1-methylpropyl]benzamide 3-[[[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) 2.19 4.21 -17.43 2 6 0 65 396.482 9 ↓
Lo Low (pH 4.5-6) 2.19 6.34 -43 3 6 1 66 397.49 9 ↓

Analogs

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Popular Name: 3-[[[2-[4-(2,2-difluoroethyl)piperazin-1-yl]acetyl]amino]methyl]-N-[(1S)-1-methylpropyl]benzamide 3-[[[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) 2.19 4.21 -17.51 2 6 0 65 396.482 9 ↓
Lo Low (pH 4.5-6) 2.19 6.34 -43.07 3 6 1 66 397.49 9 ↓

Analogs

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Popular Name: (2R)-N-[3-[[[2-[4-(2,2-difluoroethyl)piperazin-1-yl]acetyl]amino]methyl]phenyl]-2-methyl-butanamide (2R)-N-[3-[[[2-[4-(2,2-difluoroe…

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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 4.36 -16.22 2 6 0 65 396.482 9 ↓
Lo Low (pH 4.5-6) 2.59 6.48 -40.73 3 6 1 66 397.49 9 ↓

Analogs

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Popular Name: (2S)-N-[3-[[[2-[4-(2,2-difluoroethyl)piperazin-1-yl]acetyl]amino]methyl]phenyl]-2-methyl-butanamide (2S)-N-[3-[[[2-[4-(2,2-difluoroe…

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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 4.35 -16.25 2 6 0 65 396.482 9 ↓
Lo Low (pH 4.5-6) 2.59 6.48 -40.71 3 6 1 66 397.49 9 ↓

Analogs

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Popular Name: N-[3-[[[2-[4-(2,2-difluoroethyl)piperazin-1-yl]acetyl]amino]methyl]phenyl]butanamide N-[3-[[[2-[4-(2,2-difluoroethyl)…

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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) 2.40 3.82 -16.53 2 6 0 65 382.455 9 ↓
Lo Low (pH 4.5-6) 2.40 5.94 -41.05 3 6 1 66 383.463 9 ↓

Analogs

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Popular Name: N-[(3-acetamidophenyl)methyl]-2-[4-(2,2-difluoroethyl)piperazin-1-yl]acetamide N-[(3-acetamidophenyl)methyl]-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) 1.00 2.23 -17.1 2 6 0 65 354.401 7 ↓
Lo Low (pH 4.5-6) 1.00 4.36 -41.81 3 6 1 66 355.409 7 ↓

Analogs

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Popular Name: N-[4-[(1R)-1-[[2-[4-(2,2-difluoroethyl)piperazin-1-yl]acetyl]amino]ethyl]phenyl]propanamide N-[4-[(1R)-1-[[2-[4-(2,2-difluor…

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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 3.89 -15.7 2 6 0 65 382.455 8 ↓
Lo Low (pH 4.5-6) 2.43 6.01 -43.17 3 6 1 66 383.463 8 ↓

Analogs

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Popular Name: N-[4-[(1S)-1-[[2-[4-(2,2-difluoroethyl)piperazin-1-yl]acetyl]amino]ethyl]phenyl]propanamide N-[4-[(1S)-1-[[2-[4-(2,2-difluor…

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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 3.89 -15.44 2 6 0 65 382.455 8 ↓
Lo Low (pH 4.5-6) 2.43 6.01 -42.44 3 6 1 66 383.463 8 ↓

Analogs

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Popular Name: N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-[4-(2,2-difluoroethyl)piperazin-1-yl]acetamide N-[(1S)-1-(3-acetamidophenyl)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) 1.56 3.04 -16.32 2 6 0 65 368.428 7 ↓
Lo Low (pH 4.5-6) 1.56 5.19 -44.68 3 6 1 66 369.436 7 ↓

Analogs

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Popular Name: N-[(1R)-1-(3-acetamidophenyl)ethyl]-2-[4-(2,2-difluoroethyl)piperazin-1-yl]acetamide N-[(1R)-1-(3-acetamidophenyl)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) 1.56 3.04 -16.34 2 6 0 65 368.428 7 ↓
Lo Low (pH 4.5-6) 1.56 5.18 -45.02 3 6 1 66 369.436 7 ↓

Analogs

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Popular Name: 2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-[[4-(isopropylcarbamoylamino)phenyl]methyl]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) 1.99 2.55 -16.63 3 7 0 77 397.47 8 ↓
Lo Low (pH 4.5-6) 1.99 4.68 -43.24 4 7 1 78 398.478 8 ↓

Parameters Provided:

ring.id = 12489
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 = 12489 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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