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Analogs

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Popular Name: (1R)-1-cyclopropyl-2-(4-propylpiperazin-1-yl)ethanamine (1R)-1-cyclopropyl-2-(4-propylpi…

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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 4.48 -94.07 4 3 2 35 213.369 5 ↓
Hi High (pH 8-9.5) 0.85 2.23 -37.74 3 3 1 34 212.361 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-2-(4-propylpiperazin-1-yl)ethanamine (1S)-1-cyclopropyl-2-(4-propylpi…

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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 4.72 -95.09 4 3 2 35 213.369 5 ↓
Hi High (pH 8-9.5) 0.85 2.46 -38.15 3 3 1 34 212.361 5 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-methyl-2-(4-propylpiperazin-1-yl)ethanamine (1R)-1-cyclopropyl-N-methyl-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) 1.75 5.81 -86.91 3 3 2 24 227.396 6 ↓
Hi High (pH 8-9.5) 1.75 3.55 -36.7 2 3 1 23 226.388 6 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-methyl-2-(4-propylpiperazin-1-yl)ethanamine (1S)-1-cyclopropyl-N-methyl-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) 1.75 8.06 -91.02 3 3 2 24 227.396 6 ↓
Hi High (pH 8-9.5) 1.75 5.78 -33.79 2 3 1 23 226.388 6 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-(4-ethylpiperazin-1-yl)ethanamine (1R)-1-cyclopropyl-2-(4-ethylpip…

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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) 0.34 3.74 -92.67 4 3 2 35 199.342 4 ↓
Hi High (pH 8-9.5) 0.34 1.47 -37.8 3 3 1 34 198.334 4 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-2-(4-ethylpiperazin-1-yl)ethanamine (1S)-1-cyclopropyl-2-(4-ethylpip…

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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) 0.34 3.98 -93.76 4 3 2 35 199.342 4 ↓
Hi High (pH 8-9.5) 0.34 1.71 -38.16 3 3 1 34 198.334 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-(4-ethylpiperazin-1-yl)-N-methyl-ethanamine (1R)-1-cyclopropyl-2-(4-ethylpip…

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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 5.07 -85.62 3 3 2 24 213.369 5 ↓
Hi High (pH 8-9.5) 1.25 2.8 -36.77 2 3 1 23 212.361 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-2-(4-ethylpiperazin-1-yl)-N-methyl-ethanamine (1S)-1-cyclopropyl-2-(4-ethylpip…

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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 7.31 -89.6 3 3 2 24 213.369 5 ↓
Hi High (pH 8-9.5) 1.25 5.03 -33.86 2 3 1 23 212.361 5 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-ethyl-2-(4-ethylpiperazin-1-yl)ethanamine (1R)-1-cyclopropyl-N-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) 1.63 6.11 -88.41 3 3 2 24 227.396 6 ↓
Hi High (pH 8-9.5) 1.63 3.84 -32.35 2 3 1 23 226.388 6 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-ethyl-2-(4-ethylpiperazin-1-yl)ethanamine (1S)-1-cyclopropyl-N-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) 1.63 6.35 -86.03 3 3 2 24 227.396 6 ↓
Hi High (pH 8-9.5) 1.63 4.08 -35.52 2 3 1 23 226.388 6 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-(4-methylpiperazin-1-yl)ethanamine (1R)-1-cyclopropyl-2-(4-methylpi…

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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) -0.03 3.06 -92.65 4 3 2 35 185.315 3 ↓
Hi High (pH 8-9.5) -0.03 0.7 -37.94 3 3 1 34 184.307 3 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-2-(4-methylpiperazin-1-yl)ethanamine (1S)-1-cyclopropyl-2-(4-methylpi…

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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) -0.03 3.3 -93.53 4 3 2 35 185.315 3 ↓
Hi High (pH 8-9.5) -0.03 0.93 -38.32 3 3 1 34 184.307 3 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine (1R)-1-cyclopropyl-N-methyl-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) 0.88 4.59 -88.92 3 3 2 24 199.342 4 ↓
Hi High (pH 8-9.5) 0.88 2.23 -33.8 2 3 1 23 198.334 4 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine (1S)-1-cyclopropyl-N-methyl-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) 0.88 4.85 -86.6 3 3 2 24 199.342 4 ↓
Hi High (pH 8-9.5) 0.88 2.49 -37.35 2 3 1 23 198.334 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)ethanamine (1R)-1-cyclopropyl-N-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) 1.25 5.44 -88.2 3 3 2 24 213.369 5 ↓
Hi High (pH 8-9.5) 1.25 3.06 -32.5 2 3 1 23 212.361 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-ethyl-2-(4-methylpiperazin-1-yl)ethanamine (1S)-1-cyclopropyl-N-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) 1.25 5.67 -86.24 3 3 2 24 213.369 5 ↓
Hi High (pH 8-9.5) 1.25 3.31 -35.75 2 3 1 23 212.361 5 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopropyl-2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine N-[(1R)-1-cyclopropyl-2-(4-methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.75 6.2 -89.66 3 3 2 24 227.396 6 ↓
Hi High (pH 8-9.5) 1.75 3.82 -33.15 2 3 1 23 226.388 6 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropyl-2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine N-[(1S)-1-cyclopropyl-2-(4-methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.75 6.43 -87.44 3 3 2 24 227.396 6 ↓
Hi High (pH 8-9.5) 1.75 4.07 -36.46 2 3 1 23 226.388 6 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-(4-isopropylpiperazin-1-yl)ethanamine (1R)-1-cyclopropyl-2-(4-isopropy…

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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) 0.64 4.25 -92.42 4 3 2 35 213.369 4 ↓
Hi High (pH 8-9.5) 0.64 1.83 -37.74 3 3 1 34 212.361 4 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-2-(4-isopropylpiperazin-1-yl)ethanamine (1S)-1-cyclopropyl-2-(4-isopropy…

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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) 0.64 4.49 -93.28 4 3 2 35 213.369 4 ↓
Hi High (pH 8-9.5) 0.64 2.07 -38.15 3 3 1 34 212.361 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-(4-isopropylpiperazin-1-yl)-N-methyl-ethanamine (1R)-1-cyclopropyl-2-(4-isopropy…

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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) 1.55 5.58 -84.9 3 3 2 24 227.396 5 ↓
Hi High (pH 8-9.5) 1.55 3.16 -36.37 2 3 1 23 226.388 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-2-(4-isopropylpiperazin-1-yl)-N-methyl-ethanamine (1S)-1-cyclopropyl-2-(4-isopropy…

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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) 1.55 7.82 -89.16 3 3 2 24 227.396 5 ↓
Hi High (pH 8-9.5) 1.55 5.38 -33.86 2 3 1 23 226.388 5 ↓

Analogs

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Popular Name: (1R)-2-(4-tert-butylpiperazin-1-yl)-1-cyclopropyl-ethanamine (1R)-2-(4-tert-butylpiperazin-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) 1.15 4.47 -91.75 4 3 2 35 227.396 4 ↓
Hi High (pH 8-9.5) 1.15 2.34 -37.65 3 3 1 34 226.388 4 ↓

Analogs

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Popular Name: (1S)-2-(4-tert-butylpiperazin-1-yl)-1-cyclopropyl-ethanamine (1S)-2-(4-tert-butylpiperazin-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) 1.15 4.71 -92.63 4 3 2 35 227.396 4 ↓
Hi High (pH 8-9.5) 1.15 2.58 -38.08 3 3 1 34 226.388 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]ethanamine (1R)-1-cyclopropyl-2-[4-[(1R)-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) 1.18 4.83 -92.65 4 3 2 35 227.396 5 ↓
Hi High (pH 8-9.5) 1.18 2.93 -37.61 3 3 1 34 226.388 5 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]ethanamine (1R)-1-cyclopropyl-2-[4-[(1S)-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) 1.18 4.88 -93.21 4 3 2 35 227.396 5 ↓
Hi High (pH 8-9.5) 1.18 2.98 -37.67 3 3 1 34 226.388 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]ethanamine (1S)-1-cyclopropyl-2-[4-[(1R)-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) 1.18 5.07 -93.68 4 3 2 35 227.396 5 ↓
Hi High (pH 8-9.5) 1.18 3.16 -37.9 3 3 1 34 226.388 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]ethanamine (1S)-1-cyclopropyl-2-[4-[(1S)-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) 1.18 5.08 -93.51 4 3 2 35 227.396 5 ↓
Hi High (pH 8-9.5) 1.18 3.17 -38.02 3 3 1 34 226.388 5 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-(4-isobutylpiperazin-1-yl)ethanamine (1R)-1-cyclopropyl-2-(4-isobutyl…

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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) 1.09 5.18 -94.9 4 3 2 35 227.396 5 ↓
Hi High (pH 8-9.5) 1.09 3.22 -37.6 3 3 1 34 226.388 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-2-(4-isobutylpiperazin-1-yl)ethanamine (1S)-1-cyclopropyl-2-(4-isobutyl…

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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) 1.09 5.42 -95.58 4 3 2 35 227.396 5 ↓
Hi High (pH 8-9.5) 1.09 3.44 -37.86 3 3 1 34 226.388 5 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine (1R)-1-cyclopropyl-2-(4-methylsu…

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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) -0.66 -0.3 -48.54 3 5 1 68 248.372 4 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-2-(4-methylsulfonylpiperazin-1-yl)ethanamine (1S)-1-cyclopropyl-2-(4-methylsu…

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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) -0.66 -0.06 -49.09 3 5 1 68 248.372 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-[(3R)-3,4-dimethylpiperazin-1-yl]ethanamine (1R)-1-cyclopropyl-2-[(3R)-3,4-d…

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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) 0.30 3.6 -92.68 4 3 2 35 199.342 3 ↓
Hi High (pH 8-9.5) 0.30 1.31 -38.11 3 3 1 34 198.334 3 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-[(3S)-3,4-dimethylpiperazin-1-yl]ethanamine (1R)-1-cyclopropyl-2-[(3S)-3,4-d…

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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) 0.30 3.57 -91.89 4 3 2 35 199.342 3 ↓
Hi High (pH 8-9.5) 0.30 1.27 -38.02 3 3 1 34 198.334 3 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-[(3R)-3,4-dimethylpiperazin-1-yl]-N-methyl-ethanamine (1R)-1-cyclopropyl-2-[(3R)-3,4-d…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.21 5.1 -88.52 3 3 2 24 213.369 4 ↓
Hi High (pH 8-9.5) 1.21 2.79 -33.9 2 3 1 23 212.361 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-[(3S)-3,4-dimethylpiperazin-1-yl]-N-methyl-ethanamine (1R)-1-cyclopropyl-2-[(3S)-3,4-d…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.21 4.88 -85.24 3 3 2 24 213.369 4 ↓
Hi High (pH 8-9.5) 1.21 2.59 -36.98 2 3 1 23 212.361 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-[(3R)-3,4-dimethylpiperazin-1-yl]-N-ethyl-ethanamine (1R)-1-cyclopropyl-2-[(3R)-3,4-d…

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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 5.94 -87.81 3 3 2 24 227.396 5 ↓
Hi High (pH 8-9.5) 1.58 3.64 -32.49 2 3 1 23 226.388 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-2-[(3R)-3,4-dimethylpiperazin-1-yl]-N-ethyl-ethanamine (1S)-1-cyclopropyl-2-[(3R)-3,4-d…

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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 6.16 -85.65 3 3 2 24 227.396 5 ↓
Hi High (pH 8-9.5) 1.58 3.88 -35.75 2 3 1 23 226.388 5 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-[(3S)-4-ethyl-3-methyl-piperazin-1-yl]ethanamine (1R)-1-cyclopropyl-2-[(3S)-4-eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.67 4.19 -91.88 4 3 2 35 213.369 4 ↓
Hi High (pH 8-9.5) 0.67 2 -38.01 3 3 1 34 212.361 4 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-[(3S)-4-ethyl-3-methyl-piperazin-1-yl]-N-methyl-ethanamine (1R)-1-cyclopropyl-2-[(3S)-4-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) 1.58 5.51 -84.74 3 3 2 24 227.396 5 ↓
Hi High (pH 8-9.5) 1.58 3.32 -36.78 2 3 1 23 226.388 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-[(3R)-3-ethyl-4-methyl-piperazin-1-yl]ethanamine (1R)-1-cyclopropyl-2-[(3R)-3-eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.83 4.2 -93.74 4 3 2 35 213.369 4 ↓
Hi High (pH 8-9.5) 0.83 1.88 -38.25 3 3 1 34 212.361 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-[(3S)-3-ethyl-4-methyl-piperazin-1-yl]ethanamine (1R)-1-cyclopropyl-2-[(3S)-3-eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.83 4.22 -92.72 4 3 2 35 213.369 4 ↓
Hi High (pH 8-9.5) 0.83 1.9 -38.26 3 3 1 34 212.361 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-[(3R)-3-ethyl-4-methyl-piperazin-1-yl]-N-methyl-ethanamine (1R)-1-cyclopropyl-2-[(3R)-3-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) 1.74 5.67 -89.54 3 3 2 24 227.396 5 ↓
Hi High (pH 8-9.5) 1.74 3.33 -34.09 2 3 1 23 226.388 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-2-[(3S)-3-ethyl-4-methyl-piperazin-1-yl]-N-methyl-ethanamine (1R)-1-cyclopropyl-2-[(3S)-3-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) 1.74 5.47 -86.29 3 3 2 24 227.396 5 ↓
Hi High (pH 8-9.5) 1.74 3.17 -37.11 2 3 1 23 226.388 5 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine (1R)-1-cyclopropyl-2-(3,3,4-trim…

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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) 0.78 4.3 -92.26 4 3 2 35 213.369 3 ↓
Hi High (pH 8-9.5) 0.78 2.04 -38.87 3 3 1 34 212.361 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-methyl-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine (1R)-1-cyclopropyl-N-methyl-2-(3…

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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 5.76 -88.05 3 3 2 24 227.396 4 ↓
Hi High (pH 8-9.5) 1.69 3.51 -34.53 2 3 1 23 226.388 4 ↓

Analogs

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Popular Name: (2R)-2-amino-2-cyclopropyl-3-(4-ethylpiperazin-1-yl)propanenitrile (2R)-2-amino-2-cyclopropyl-3-(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) 0.73 3.13 -36.03 3 4 1 57 223.344 4 ↓
Hi High (pH 8-9.5) 0.73 0.84 -5.94 2 4 0 56 222.336 4 ↓
Lo Low (pH 4.5-6) 0.73 3.5 -100.64 4 4 2 59 224.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-amino-2-cyclopropyl-3-(4-ethylpiperazin-1-yl)propanenitrile (2S)-2-amino-2-cyclopropyl-3-(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) 0.73 4.12 -35.26 3 4 1 57 223.344 4 ↓
Hi High (pH 8-9.5) 0.73 1.84 -6.92 2 4 0 56 222.336 4 ↓
Lo Low (pH 4.5-6) 0.73 3.87 -100.39 4 4 2 59 224.352 4 ↓

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-(methylamino)-3-(4-methylpiperazin-1-yl)propanenitrile (2S)-2-cyclopropyl-2-(methylamin…

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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) 0.73 3.33 -39.71 2 4 1 43 223.344 4 ↓
Hi High (pH 8-9.5) 0.73 0.97 -4.18 1 4 0 42 222.336 4 ↓
Lo Low (pH 4.5-6) 0.73 4.82 -99.35 3 4 2 48 224.352 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-2-(methylamino)-3-(4-methylpiperazin-1-yl)propanenitrile (2R)-2-cyclopropyl-2-(methylamin…

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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) 0.73 2.73 -34.76 2 4 1 43 223.344 4 ↓
Hi High (pH 8-9.5) 0.73 1.49 -6.46 1 4 0 42 222.336 4 ↓
Lo Low (pH 4.5-6) 0.73 4.36 -95.46 3 4 2 48 224.352 4 ↓

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 = 243568 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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