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Analogs

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Popular Name: 2-[[(1S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-methyl-ethyl]amino]benzamide 2-[[(1S)-2-[4-(2-hydroxyphenyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.92 5.14 -35.22 5 6 1 83 355.462 6 ↓
Mid Mid (pH 6-8) 2.92 2.86 -8.85 4 6 0 82 354.454 6 ↓

Analogs

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Popular Name: 2-[[(1R)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-methyl-ethyl]amino]benzamide 2-[[(1R)-2-[4-(2-hydroxyphenyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.92 5.15 -35.81 5 6 1 83 355.462 6 ↓
Mid Mid (pH 6-8) 2.92 2.86 -9.27 4 6 0 82 354.454 6 ↓

Analogs

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Popular Name: 2-[[(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]amino]benzamide 2-[[(2S)-2-[4-(2-methoxyphenyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 6.83 -33.67 4 6 1 72 369.489 7 ↓
Mid Mid (pH 6-8) 2.52 4.84 -10.5 3 6 0 71 368.481 7 ↓

Analogs

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Popular Name: 2-[[(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]amino]benzamide 2-[[(2R)-2-[4-(2-methoxyphenyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 6.83 -31.04 4 6 1 72 369.489 7 ↓
Mid Mid (pH 6-8) 2.52 4.8 -9.38 3 6 0 71 368.481 7 ↓

Analogs

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Popular Name: 5-amino-N,N-dimethyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide 5-amino-N,N-dimethyl-2-[2-(4-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) 1.38 7.27 -45.55 4 6 1 66 368.505 6 ↓
Mid Mid (pH 6-8) 1.38 5.05 -9.96 3 6 0 65 367.497 6 ↓

Analogs

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Popular Name: 3-methoxy-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide 3-methoxy-2-[2-(4-phenylpiperazi…

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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 6.14 -40.31 4 6 1 72 355.462 7 ↓
Mid Mid (pH 6-8) 2.19 3.93 -10.16 3 6 0 71 354.454 7 ↓

Analogs

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Popular Name: 2-[[(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]propyl]amino]benzamide 2-[[(2S)-2-[4-(3-chlorophenyl)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) 3.17 5.55 -8.16 3 5 0 62 372.9 6 ↓
Mid Mid (pH 6-8) 3.17 7.53 -36.44 4 5 1 63 373.908 6 ↓

Analogs

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Popular Name: 2-[[(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]propyl]amino]benzamide 2-[[(2R)-2-[4-(3-chlorophenyl)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) 3.17 5.61 -8.34 3 5 0 62 372.9 6 ↓
Mid Mid (pH 6-8) 3.17 7.52 -36.61 4 5 1 63 373.908 6 ↓

Analogs

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Popular Name: 3-hydroxy-2-[[(2S)-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide 3-hydroxy-2-[[(2S)-2-(4-phenylpi…

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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) 2.25 4.53 -36.5 5 6 1 83 355.462 6 ↓
Mid Mid (pH 6-8) 2.25 2.63 -9.61 4 6 0 82 354.454 6 ↓

Analogs

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Popular Name: 3-hydroxy-2-[[(2R)-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide 3-hydroxy-2-[[(2R)-2-(4-phenylpi…

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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) 2.25 4.93 -37.07 5 6 1 83 355.462 6 ↓
Mid Mid (pH 6-8) 2.25 2.55 -9.32 4 6 0 82 354.454 6 ↓

Analogs

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Popular Name: 2-[[(2S)-2-[4-(4-aminophenyl)piperazin-1-yl]propyl]amino]benzamide 2-[[(2S)-2-[4-(4-aminophenyl)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) 1.59 4.89 -34.43 6 6 1 89 354.478 6 ↓
Mid Mid (pH 6-8) 1.59 2.84 -9.01 5 6 0 88 353.47 6 ↓
Lo Low (pH 4.5-6) 1.59 4.75 -85.77 7 6 2 90 355.486 6 ↓

Analogs

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Popular Name: 2-[[(2R)-2-[4-(4-aminophenyl)piperazin-1-yl]propyl]amino]benzamide 2-[[(2R)-2-[4-(4-aminophenyl)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) 1.59 4.87 -34.6 6 6 1 89 354.478 6 ↓
Mid Mid (pH 6-8) 1.59 2.88 -9.17 5 6 0 88 353.47 6 ↓
Lo Low (pH 4.5-6) 1.59 4.74 -85.85 7 6 2 90 355.486 6 ↓

Analogs

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Popular Name: 2-[2-(4-phenylpiperazin-1-yl)ethyl-propanoyl-amino]benzamide 2-[2-(4-phenylpiperazin-1-yl)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) 1.96 7.03 -14.94 2 6 0 70 380.492 7 ↓
Mid Mid (pH 6-8) 1.96 9.27 -36.97 3 6 1 71 381.5 7 ↓

Analogs

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Popular Name: 2-hydroxy-6-[2-(4-phenylpiperazin-1-yl)ethylamino]benzoic 2-hydroxy-6-[2-(4-phenylpiperazi…

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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 7.26 -71.63 3 6 0 80 341.411 6 ↓
Mid Mid (pH 6-8) 2.88 5.04 -54.26 2 6 -1 79 340.403 6 ↓

Analogs

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Popular Name: 4-methoxy-N,N-dimethyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide 4-methoxy-N,N-dimethyl-2-[2-(4-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 8.77 -44.39 2 6 1 49 383.516 7 ↓
Mid Mid (pH 6-8) 2.37 6.56 -10.16 1 6 0 48 382.508 7 ↓

Analogs

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Popular Name: 2-[[(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]amino]benzamide 2-[[(2S)-2-[4-(2-hydroxyphenyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 4.68 -34.68 5 6 1 83 355.462 6 ↓
Mid Mid (pH 6-8) 2.25 2.69 -9.84 4 6 0 82 354.454 6 ↓

Analogs

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Popular Name: 2-[[(2R)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]amino]benzamide 2-[[(2R)-2-[4-(2-hydroxyphenyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.25 4.69 -35.04 5 6 1 83 355.462 6 ↓
Mid Mid (pH 6-8) 2.25 2.76 -10.02 4 6 0 82 354.454 6 ↓

Analogs

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Popular Name: 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl-methyl-amino]benzamide 2-[2-[4-(3-methoxyphenyl)piperaz…

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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) 2.46 7.94 -35.86 3 6 1 63 369.489 7 ↓
Mid Mid (pH 6-8) 2.46 5.72 -9.95 2 6 0 62 368.481 7 ↓

Analogs

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Popular Name: 4-amino-N,N-dimethyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide 4-amino-N,N-dimethyl-2-[2-(4-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) 1.38 7.27 -46.24 4 6 1 66 368.505 6 ↓
Mid Mid (pH 6-8) 1.38 5.13 -10.1 3 6 0 65 367.497 6 ↓

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) 3.14 7.3 -52.44 3 6 1 66 356.446 7 ↓
Mid Mid (pH 6-8) 3.14 5.1 -10.9 2 6 0 65 355.438 7 ↓

Analogs

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Popular Name: 2-[2-(4-phenylpiperazin-1-yl)ethylamino]-4-(trifluoromethyl)benzamide 2-[2-(4-phenylpiperazin-1-yl)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) 3.06 7.48 -44.46 4 5 1 63 393.433 7 ↓
Mid Mid (pH 6-8) 3.06 5.27 -8.8 3 5 0 62 392.425 7 ↓

Analogs

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Popular Name: 2-[[(2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]propyl]amino]benzamide 2-[[(2S)-2-[4-(4-chlorophenyl)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) 3.19 5.56 -8.04 3 5 0 62 372.9 6 ↓
Mid Mid (pH 6-8) 3.19 7.54 -37.44 4 5 1 63 373.908 6 ↓

Analogs

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Popular Name: 2-[[(2R)-2-[4-(4-chlorophenyl)piperazin-1-yl]propyl]amino]benzamide 2-[[(2R)-2-[4-(4-chlorophenyl)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) 3.19 5.53 -8.12 3 5 0 62 372.9 6 ↓
Mid Mid (pH 6-8) 3.19 7.53 -37.65 4 5 1 63 373.908 6 ↓

Analogs

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Popular Name: 2-[[(2S)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]amino]benzamide 2-[[(2S)-2-[4-(3-methoxyphenyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.55 6.33 -36.08 4 6 1 72 369.489 7 ↓
Mid Mid (pH 6-8) 2.55 4.34 -9.85 3 6 0 71 368.481 7 ↓

Analogs

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Popular Name: 2-[[(2R)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]amino]benzamide 2-[[(2R)-2-[4-(3-methoxyphenyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.55 6.31 -36.32 4 6 1 72 369.489 7 ↓
Mid Mid (pH 6-8) 2.55 4.4 -10 3 6 0 71 368.481 7 ↓

Analogs

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Popular Name: 2-[[(1S)-2-[4-(4-aminophenyl)piperazin-1-yl]-1-methyl-ethyl]amino]benzamide 2-[[(1S)-2-[4-(4-aminophenyl)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) 2.26 5.38 -37.8 6 6 1 89 354.478 6 ↓
Mid Mid (pH 6-8) 2.26 3.09 -8.94 5 6 0 88 353.47 6 ↓
Lo Low (pH 4.5-6) 2.26 5.93 -107.98 7 6 2 90 355.486 6 ↓

Analogs

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Popular Name: 2-[[(1R)-2-[4-(4-aminophenyl)piperazin-1-yl]-1-methyl-ethyl]amino]benzamide 2-[[(1R)-2-[4-(4-aminophenyl)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) 2.26 5.31 -36.19 6 6 1 89 354.478 6 ↓
Mid Mid (pH 6-8) 2.26 3.02 -8.87 5 6 0 88 353.47 6 ↓
Lo Low (pH 4.5-6) 2.26 6 -109.02 7 6 2 90 355.486 6 ↓

Analogs

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Popular Name: 2-amino-6-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide 2-amino-6-[2-(4-phenylpiperazin-…

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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 3.88 -48.41 6 6 1 89 340.451 6 ↓
Mid Mid (pH 6-8) 1.62 1.67 -9.39 5 6 0 88 339.443 6 ↓

Analogs

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Popular Name: 3-hydroxy-N-methyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide 3-hydroxy-N-methyl-2-[2-(4-pheny…

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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) 2.29 5.54 -41.79 4 6 1 69 355.462 6 ↓
Mid Mid (pH 6-8) 2.29 3.31 -10.39 3 6 0 68 354.454 6 ↓

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) 4.13 8.38 -48.9 3 6 1 66 370.473 7 ↓
Mid Mid (pH 6-8) 4.13 6.11 -10.59 2 6 0 65 369.465 7 ↓

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) 4.13 8.3 -45.84 3 6 1 66 370.473 7 ↓
Mid Mid (pH 6-8) 4.13 6.01 -11.12 2 6 0 65 369.465 7 ↓

Analogs

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Popular Name: 2-[[(2S)-2-[4-(m-tolyl)piperazin-1-yl]propyl]amino]benzamide 2-[[(2S)-2-[4-(m-tolyl)piperazin…

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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) 2.94 7.68 -35.62 4 5 1 63 353.49 6 ↓
Mid Mid (pH 6-8) 2.94 5.73 -8.59 3 5 0 62 352.482 6 ↓

Analogs

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Popular Name: 2-[[(2R)-2-[4-(m-tolyl)piperazin-1-yl]propyl]amino]benzamide 2-[[(2R)-2-[4-(m-tolyl)piperazin…

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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) 2.94 7.7 -34.59 4 5 1 63 353.49 6 ↓
Mid Mid (pH 6-8) 2.94 5.62 -8.54 3 5 0 62 352.482 6 ↓

Analogs

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Popular Name: 2-[[(1S)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-methyl-ethyl]amino]benzamide 2-[[(1S)-2-[4-(3-methoxyphenyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.21 6.84 -39.94 4 6 1 72 369.489 7 ↓
Mid Mid (pH 6-8) 3.21 4.56 -9.76 3 6 0 71 368.481 7 ↓

Analogs

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Popular Name: 2-[[(1R)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-methyl-ethyl]amino]benzamide 2-[[(1R)-2-[4-(3-methoxyphenyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.21 6.74 -38.14 4 6 1 72 369.489 7 ↓
Mid Mid (pH 6-8) 3.21 4.45 -9.82 3 6 0 71 368.481 7 ↓

Analogs

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Popular Name: 2-[[(2S)-2-[4-(3-aminophenyl)piperazin-1-yl]propyl]amino]benzamide 2-[[(2S)-2-[4-(3-aminophenyl)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) 1.57 4.9 -35.22 6 6 1 89 354.478 6 ↓
Mid Mid (pH 6-8) 1.57 2.92 -9.18 5 6 0 88 353.47 6 ↓

Analogs

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Popular Name: 2-[[(2R)-2-[4-(3-aminophenyl)piperazin-1-yl]propyl]amino]benzamide 2-[[(2R)-2-[4-(3-aminophenyl)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) 1.57 4.88 -35.36 6 6 1 89 354.478 6 ↓
Mid Mid (pH 6-8) 1.57 2.98 -9.32 5 6 0 88 353.47 6 ↓

Analogs

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Popular Name: 2-[2-[4-(3-hydroxyphenyl)piperazin-1-yl]ethyl-methyl-amino]benzamide 2-[2-[4-(3-hydroxyphenyl)piperaz…

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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 5.79 -36.89 4 6 1 74 355.462 6 ↓
Mid Mid (pH 6-8) 1.93 3.57 -10.2 3 6 0 73 354.454 6 ↓

Analogs

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Popular Name: 3-methoxy-N-methyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide 3-methoxy-N-methyl-2-[2-(4-pheny…

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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) 2.57 7.66 -40.17 3 6 1 58 369.489 7 ↓
Mid Mid (pH 6-8) 2.57 5.45 -10.29 2 6 0 57 368.481 7 ↓

Analogs

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Popular Name: 5-hydroxy-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide 5-hydroxy-2-[2-(4-phenylpiperazi…

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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) 1.68 1.41 -9.57 4 6 0 82 340.427 6 ↓
Mid Mid (pH 6-8) 1.68 3.63 -45.62 5 6 1 83 341.435 6 ↓

Analogs

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Popular Name: 2-[2-[4-(o-tolyl)piperazin-1-yl]ethylamino]benzamide 2-[2-[4-(o-tolyl)piperazin-1-yl]…

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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) 2.58 7.94 -40.89 4 5 1 63 339.463 6 ↓
Mid Mid (pH 6-8) 2.58 5.72 -8 3 5 0 62 338.455 6 ↓
Mid Mid (pH 6-8) 2.58 5.61 -33.87 4 5 1 63 339.463 6 ↓

Analogs

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Popular Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl-methyl-amino]benzamide 2-[2-[4-(2-methoxyphenyl)piperaz…

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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) 2.44 8.45 -31.44 3 6 1 63 369.489 7 ↓
Mid Mid (pH 6-8) 2.44 6.22 -9.47 2 6 0 62 368.481 7 ↓

Analogs

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Popular Name: 5-methoxy-N,N-dimethyl-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide 5-methoxy-N,N-dimethyl-2-[2-(4-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 8.69 -48.2 2 6 1 49 383.516 7 ↓
Mid Mid (pH 6-8) 2.37 6.54 -9.69 1 6 0 48 382.508 7 ↓

Analogs

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Popular Name: 2-[[(2S)-2-[4-(p-tolyl)piperazin-1-yl]propyl]amino]benzamide 2-[[(2S)-2-[4-(p-tolyl)piperazin…

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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) 2.96 7.72 -35.45 4 5 1 63 353.49 6 ↓
Mid Mid (pH 6-8) 2.96 5.74 -8.53 3 5 0 62 352.482 6 ↓

Analogs

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Popular Name: 2-[[(2R)-2-[4-(p-tolyl)piperazin-1-yl]propyl]amino]benzamide 2-[[(2R)-2-[4-(p-tolyl)piperazin…

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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) 2.96 7.73 -34.44 4 5 1 63 353.49 6 ↓
Mid Mid (pH 6-8) 2.96 5.69 -8.38 3 5 0 62 352.482 6 ↓

Analogs

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Popular Name: 2-[2-[4-(3-aminophenyl)piperazin-1-yl]ethyl-methyl-amino]benzamide 2-[2-[4-(3-aminophenyl)piperazin…

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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) 1.48 6.52 -34.7 5 6 1 80 354.478 6 ↓
Mid Mid (pH 6-8) 1.48 4.3 -9.3 4 6 0 79 353.47 6 ↓

Analogs

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Popular Name: 2-[butanoyl-[2-(4-phenylpiperazin-1-yl)ethyl]amino]benzamide 2-[butanoyl-[2-(4-phenylpiperazi…

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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) 2.52 7.79 -14.83 2 6 0 70 394.519 8 ↓
Mid Mid (pH 6-8) 2.52 10.01 -36.85 3 6 1 71 395.527 8 ↓

Analogs

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Popular Name: 2-[[(1R)-1-methyl-2-[4-(o-tolyl)piperazin-1-yl]ethyl]amino]benzamide 2-[[(1R)-1-methyl-2-[4-(o-tolyl)…

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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 8.86 -36.74 4 5 1 63 353.49 6 ↓
Mid Mid (pH 6-8) 3.58 6.54 -7.79 3 5 0 62 352.482 6 ↓
Mid Mid (pH 6-8) 3.58 6.49 -31.12 4 5 1 63 353.49 6 ↓

Analogs

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Popular Name: 2-[[(1S)-1-methyl-2-[4-(o-tolyl)piperazin-1-yl]ethyl]amino]benzamide 2-[[(1S)-1-methyl-2-[4-(o-tolyl)…

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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 8.83 -36.1 4 5 1 63 353.49 6 ↓
Mid Mid (pH 6-8) 3.58 6.52 -7.65 3 5 0 62 352.482 6 ↓
Mid Mid (pH 6-8) 3.58 6.63 -32.06 4 5 1 63 353.49 6 ↓

Analogs

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Popular Name: 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethylamino]benzamide 2-[2-[4-(4-hydroxyphenyl)piperaz…

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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) 1.71 1.4 -10.61 4 6 0 82 340.427 6 ↓
Mid Mid (pH 6-8) 1.71 3.62 -46.32 5 6 1 83 341.435 6 ↓

Parameters Provided:

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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 = 81814 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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