UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(p-tolyl)ethanamine (2S)-2-[4-(2-fluorophenyl)pipera…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.88 6.08 -50.92 3 3 1 34 314.428 4 ↓
Mid Mid (pH 6-8) 2.88 7.89 -130.9 4 3 2 35 315.436 4 ↓

Analogs

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Popular Name: (2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(p-tolyl)ethanamine (2R)-2-[4-(2-fluorophenyl)pipera…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.88 6.07 -48.79 3 3 1 34 314.428 4 ↓
Mid Mid (pH 6-8) 2.88 7.9 -128.55 4 3 2 35 315.436 4 ↓

Analogs

42914864
42914864
42914866
42914866

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Popular Name: (2R)-2-(4-fluorophenyl)-2-[4-(m-tolyl)piperazin-1-yl]ethanamine (2R)-2-(4-fluorophenyl)-2-[4-(m-…

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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) 2.91 5.93 -52.45 3 3 1 34 314.428 4 ↓
Mid Mid (pH 6-8) 2.91 7.87 -135.02 4 3 2 35 315.436 4 ↓

Analogs

42914864
42914864
42914866
42914866

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Popular Name: (2S)-2-(4-fluorophenyl)-2-[4-(m-tolyl)piperazin-1-yl]ethanamine (2S)-2-(4-fluorophenyl)-2-[4-(m-…

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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) 2.91 5.89 -54.02 3 3 1 34 314.428 4 ↓
Mid Mid (pH 6-8) 2.91 7.95 -140.15 4 3 2 35 315.436 4 ↓

Analogs

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Popular Name: (2R)-2-(2-fluorophenyl)-2-[4-(m-tolyl)piperazin-1-yl]ethanamine (2R)-2-(2-fluorophenyl)-2-[4-(m-…

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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) 2.86 6.06 -45.75 3 3 1 34 314.428 4 ↓
Mid Mid (pH 6-8) 2.86 7.93 -128.57 4 3 2 35 315.436 4 ↓

Analogs

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Popular Name: (2S)-2-(2-fluorophenyl)-2-[4-(m-tolyl)piperazin-1-yl]ethanamine (2S)-2-(2-fluorophenyl)-2-[4-(m-…

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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) 2.86 6.07 -45.66 3 3 1 34 314.428 4 ↓
Mid Mid (pH 6-8) 2.86 7.93 -128.39 4 3 2 35 315.436 4 ↓

Analogs

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Popular Name: 3-[(1S)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenol 3-[(1S)-2-amino-1-[4-(4-fluoroph…

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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) 1.98 2.64 -53.27 4 4 1 54 316.4 4 ↓
Mid Mid (pH 6-8) 1.98 4.46 -137.61 5 4 2 56 317.408 4 ↓

Analogs

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Popular Name: 3-[(1R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenol 3-[(1R)-2-amino-1-[4-(4-fluoroph…

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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) 1.98 2.35 -53.57 4 4 1 54 316.4 4 ↓
Mid Mid (pH 6-8) 1.98 4.42 -137.47 5 4 2 56 317.408 4 ↓

Analogs

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Popular Name: 3-[(1S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]phenol 3-[(1S)-2-amino-1-[4-(2-fluoroph…

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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 2.55 -57.13 4 4 1 54 316.4 4 ↓
Mid Mid (pH 6-8) 1.93 4.39 -137.43 5 4 2 56 317.408 4 ↓

Analogs

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Popular Name: 3-[(1R)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]phenol 3-[(1R)-2-amino-1-[4-(2-fluoroph…

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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 2.27 -55.37 4 4 1 54 316.4 4 ↓
Mid Mid (pH 6-8) 1.93 4.35 -135.86 5 4 2 56 317.408 4 ↓

Analogs

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Popular Name: 2-[(1S)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenol 2-[(1S)-2-amino-1-[4-(4-fluoroph…

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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) 2.42 2.85 -58.77 4 4 1 54 316.4 4 ↓
Mid Mid (pH 6-8) 2.42 4.72 -147.5 5 4 2 56 317.408 4 ↓

Analogs

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Popular Name: 2-[(1R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenol 2-[(1R)-2-amino-1-[4-(4-fluoroph…

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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) 2.42 2.83 -59.06 4 4 1 54 316.4 4 ↓
Mid Mid (pH 6-8) 2.42 4.7 -147.64 5 4 2 56 317.408 4 ↓

Analogs

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Popular Name: 2-[(1S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]phenol 2-[(1S)-2-amino-1-[4-(2-fluoroph…

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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) 2.37 2.77 -57.4 4 4 1 54 316.4 4 ↓
Mid Mid (pH 6-8) 2.37 4.62 -139.25 5 4 2 56 317.408 4 ↓

Analogs

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Popular Name: 2-[(1R)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]phenol 2-[(1R)-2-amino-1-[4-(2-fluoroph…

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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) 2.37 3.07 -53.16 4 4 1 54 316.4 4 ↓
Mid Mid (pH 6-8) 2.37 4.95 -137.93 5 4 2 56 317.408 4 ↓

Analogs

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Popular Name: 3-[4-[(3-bromophenyl)methyl]piperazin-1-yl]aniline 3-[4-[(3-bromophenyl)methyl]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) 3.17 8.79 -42.63 3 3 1 34 347.28 3 ↓
Mid Mid (pH 6-8) 3.17 6.58 -4.67 2 3 0 32 346.272 3 ↓

Analogs

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Popular Name: 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]aniline 3-[4-[(4-bromophenyl)methyl]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) 3.19 8.79 -44.29 3 3 1 34 347.28 3 ↓
Mid Mid (pH 6-8) 3.19 6.57 -4.55 2 3 0 32 346.272 3 ↓

Analogs

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Popular Name: 3-[4-[(2-bromophenyl)methyl]piperazin-1-yl]aniline 3-[4-[(2-bromophenyl)methyl]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) 3.14 8.75 -35.4 3 3 1 34 347.28 3 ↓
Mid Mid (pH 6-8) 3.14 6.5 -4.62 2 3 0 32 346.272 3 ↓

Analogs

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Popular Name: 2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]aniline 2-[4-[(3-bromophenyl)methyl]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) 3.55 7.43 -3.01 2 3 0 32 346.272 3 ↓
Lo Low (pH 4.5-6) 3.55 9.51 -103.47 4 3 2 35 348.288 3 ↓

Analogs

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Popular Name: 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]aniline 2-[4-[(4-bromophenyl)methyl]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) 3.57 7.44 -2.91 2 3 0 32 346.272 3 ↓
Lo Low (pH 4.5-6) 3.57 9.52 -105.71 4 3 2 35 348.288 3 ↓

Analogs

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Popular Name: 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]aniline 2-[4-[(2-bromophenyl)methyl]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) 3.53 7.37 -2.98 2 3 0 32 346.272 3 ↓
Lo Low (pH 4.5-6) 3.53 9.48 -95.09 4 3 2 35 348.288 3 ↓

Analogs

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Popular Name: 3-[4-[[(2R)-2-methyl-4-phenyl-piperazin-1-yl]methyl]phenyl]prop-2-yn-1-ol 3-[4-[[(2R)-2-methyl-4-phenyl-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) 3.23 7.46 -8.52 1 3 0 27 320.436 3 ↓
Mid Mid (pH 6-8) 3.23 9.56 -44.36 2 3 1 28 321.444 3 ↓

Analogs

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Popular Name: 3-[4-[[(2S)-2-methyl-4-phenyl-piperazin-1-yl]methyl]phenyl]prop-2-yn-1-ol 3-[4-[[(2S)-2-methyl-4-phenyl-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) 3.23 7.49 -8.53 1 3 0 27 320.436 3 ↓
Mid Mid (pH 6-8) 3.23 9.56 -44.38 2 3 1 28 321.444 3 ↓

Analogs

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Popular Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[isopropyl(methyl)amino]acetamide N-[4-(4-benzylpiperazin-1-yl)phe…

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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) 3.58 9.7 -37.83 2 5 1 40 381.544 7 ↓
Mid Mid (pH 6-8) 3.58 11.91 -82.44 3 5 2 41 382.552 7 ↓

Analogs

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Popular Name: 2-(4-benzyl-1-piperazinyl)-5-chlorophenylamine 2-(4-benzyl-1-piperazinyl)-5-chl…

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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 7.41 -2.67 2 3 0 32 301.821 3 ↓

Analogs

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Popular Name: 2-(4-benzyl-1-piperazinyl)aniline 2-(4-benzyl-1-piperazinyl)aniline

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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) 2.77 6.89 -3.01 2 3 0 32 267.376 3 ↓
Lo Low (pH 4.5-6) 2.77 8.93 -112.08 4 3 2 35 269.392 3 ↓

Analogs

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Popular Name: 2-(4-benzyl-1-piperazinyl)-3-chlorophenylamine 2-(4-benzyl-1-piperazinyl)-3-chl…

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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) 3.40 7.6 -3.25 2 3 0 32 301.821 3 ↓

Analogs

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Popular Name: 2-(4-benzyl-1-piperazinyl)-5-methylphenylamine 2-(4-benzyl-1-piperazinyl)-5-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) 3.19 7.56 -3.02 2 3 0 32 281.403 3 ↓
Lo Low (pH 4.5-6) 3.19 9.61 -112.72 4 3 2 35 283.419 3 ↓

Analogs

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Popular Name: 1-[4-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]phenyl]ethanone 1-[4-[4-[[2-(trifluoromethyl)phe…

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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) 4.08 10.65 -10.02 0 3 0 24 362.395 5 ↓

Analogs

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Popular Name: 1-[4-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone 1-[4-[4-[(2,3-dichlorophenyl)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) 4.49 9.55 -10.04 0 3 0 24 363.288 4 ↓

Analogs

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Popular Name: 1-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone 1-[4-[4-[(4-chlorophenyl)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) 3.91 9.02 -8.82 0 3 0 24 328.843 4 ↓

Analogs

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Popular Name: (2R)-2-[4-(m-tolyl)piperazin-1-yl]-2-phenyl-acetic (2R)-2-[4-(m-tolyl)piperazin-1-y…

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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) 3.18 -0.02 -30.64 1 4 0 48 310.397 4 ↓

Analogs

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Popular Name: (2S)-2-[4-(m-tolyl)piperazin-1-yl]-2-phenyl-acetic (2S)-2-[4-(m-tolyl)piperazin-1-y…

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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) 3.18 -0.7 -36.82 1 4 0 48 310.397 4 ↓

Analogs

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Popular Name: (2S)-N-carbamoyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-phenyl-acetamide (2S)-N-carbamoyl-2-[4-(2,3-dimet…

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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) 2.70 7.27 -18.33 3 6 0 79 366.465 4 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]butanamide N-[(2S)-2-(4-dimethylaminophenyl…

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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) 4.16 8.35 -10.6 1 5 0 39 394.563 8 ↓

Analogs

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Popular Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]butanamide N-[(2R)-2-(4-dimethylaminophenyl…

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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) 4.16 8.65 -11.35 1 5 0 39 394.563 8 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-3,3-dimethyl-butanamide N-[(2S)-2-(4-dimethylaminophenyl…

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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) 4.70 9.46 -8.98 1 5 0 39 422.617 8 ↓

Analogs

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Popular Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-3,3-dimethyl-butanamide N-[(2R)-2-(4-dimethylaminophenyl…

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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) 4.70 9.76 -9.73 1 5 0 39 422.617 8 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-methyl-butanamide N-[(2S)-2-(4-dimethylaminophenyl…

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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) 4.38 8.94 -10.09 1 5 0 39 408.59 8 ↓

Analogs

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Popular Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-3-methyl-butanamide N-[(2R)-2-(4-dimethylaminophenyl…

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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) 4.38 9.26 -10.74 1 5 0 39 408.59 8 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-methoxy-acetamide N-[(2S)-2-(4-dimethylaminophenyl…

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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) 2.71 6.81 -13.75 1 6 0 48 396.535 8 ↓

Analogs

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Popular Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2-methoxy-acetamide N-[(2R)-2-(4-dimethylaminophenyl…

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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) 2.71 7.13 -14.48 1 6 0 48 396.535 8 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]acetamide N-[(2S)-2-(4-dimethylaminophenyl…

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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) 2.76 6.81 -10.98 1 5 0 39 366.509 6 ↓

Analogs

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Popular Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]acetamide N-[(2R)-2-(4-dimethylaminophenyl…

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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) 2.76 7.07 -11.74 1 5 0 39 366.509 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2,2-dimethyl-propanamide N-[(2S)-2-(4-dimethylaminophenyl…

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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) 4.75 8.84 -10.4 1 5 0 39 408.59 7 ↓

Analogs

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Popular Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2,2-dimethyl-propanamide N-[(2R)-2-(4-dimethylaminophenyl…

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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) 4.75 9.13 -11.14 1 5 0 39 408.59 7 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]propanamide N-[(2S)-2-(4-dimethylaminophenyl…

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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) 3.60 7.6 -10.75 1 5 0 39 380.536 7 ↓

Analogs

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Popular Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]propanamide N-[(2R)-2-(4-dimethylaminophenyl…

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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) 3.60 7.89 -11.57 1 5 0 39 380.536 7 ↓

Analogs

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

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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) 3.84 8.27 -10.44 1 5 0 39 394.563 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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) 3.84 8.56 -11.23 1 5 0 39 394.563 7 ↓

Analogs

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Popular Name: 3-chloro-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2,2-dimethyl-propanamide 3-chloro-N-[(2S)-2-(4-dimethylam…

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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) 4.82 9.34 -8.98 1 5 0 39 443.035 8 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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