UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-Cyclopentyl-3-methylpiperazine 1-Cyclopentyl-3-methylpiperazine

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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) 1.72 3.32 -34.41 2 2 1 20 169.292 1 ↓

Analogs

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Popular Name: 1-Cyclopentyl-3-methylpiperazine 1-Cyclopentyl-3-methylpiperazine

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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) 1.72 3.32 -34.45 2 2 1 20 169.292 1 ↓

Analogs

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Popular Name: (1S,3R)-3-(4-methylpiperazin-1-yl)cyclopentanamine (1S,3R)-3-(4-methylpiperazin-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) -0.24 2.11 -86.34 4 3 2 35 185.315 1 ↓
Hi High (pH 8-9.5) -0.24 -0.25 -42.75 3 3 1 34 184.307 1 ↓

Analogs

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Popular Name: 4-cyclopentyl-N'-hydroxy-piperazine-1-carboxamidine 4-cyclopentyl-N'-hydroxy-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) 0.64 4.59 -37.42 4 5 1 66 213.305 2 ↓
Mid Mid (pH 6-8) 0.64 2.43 -5.61 3 5 0 65 212.297 2 ↓

Analogs

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Popular Name: N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-2-methoxy-ethanamine N-[2-(4-cyclopentylpiperazin-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) 1.05 4.68 -87.18 3 4 2 34 257.422 7 ↓
Hi High (pH 8-9.5) 1.05 1.12 -1.99 1 4 0 28 255.406 7 ↓
Hi High (pH 8-9.5) 1.05 3.34 -31.54 2 4 1 29 256.414 7 ↓

Analogs

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Popular Name: N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]butan-1-amine N-[2-(4-cyclopentylpiperazin-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) 2.51 7.07 -89.65 3 3 2 24 255.45 7 ↓
Hi High (pH 8-9.5) 2.51 4.87 -38.09 2 3 1 23 254.442 7 ↓

Analogs

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Popular Name: (2S)-N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-1-methoxy-propan-2-amine (2S)-N-[2-(4-cyclopentylpiperazi…

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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) 1.73 5.27 -86.52 3 4 2 34 271.449 7 ↓
Hi High (pH 8-9.5) 1.73 1.86 -2.56 1 4 0 28 269.433 7 ↓
Hi High (pH 8-9.5) 1.73 4.04 -31.94 2 4 1 29 270.441 7 ↓

Analogs

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Popular Name: (2R)-N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-1-methoxy-propan-2-amine (2R)-N-[2-(4-cyclopentylpiperazi…

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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) 1.73 5.27 -87.24 3 4 2 34 271.449 7 ↓
Hi High (pH 8-9.5) 1.73 1.86 -1.89 1 4 0 28 269.433 7 ↓
Hi High (pH 8-9.5) 1.73 4.04 -31.67 2 4 1 29 270.441 7 ↓

Analogs

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Popular Name: (2R)-N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]pentan-2-amine (2R)-N-[2-(4-cyclopentylpiperazi…

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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 7.62 -88.31 3 3 2 24 269.477 7 ↓
Hi High (pH 8-9.5) 3.19 5.44 -36.08 2 3 1 23 268.469 7 ↓

Analogs

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Popular Name: (2S)-N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]pentan-2-amine (2S)-N-[2-(4-cyclopentylpiperazi…

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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 7.62 -88.34 3 3 2 24 269.477 7 ↓
Hi High (pH 8-9.5) 3.19 5.43 -36.03 2 3 1 23 268.469 7 ↓

Analogs

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Popular Name: N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-3-methyl-butan-1-amine N-[2-(4-cyclopentylpiperazin-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) 2.72 7.58 -90.68 3 3 2 24 269.477 7 ↓
Hi High (pH 8-9.5) 2.72 5.37 -38.75 2 3 1 23 268.469 7 ↓

Analogs

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Popular Name: N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-3-methoxy-propan-1-amine N-[2-(4-cyclopentylpiperazin-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) 1.32 5.36 -92.35 3 4 2 34 271.449 8 ↓
Hi High (pH 8-9.5) 1.32 3.16 -40.55 2 4 1 32 270.441 8 ↓

Analogs

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Popular Name: N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]pentan-3-amine N-[2-(4-cyclopentylpiperazin-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) 3.16 7.49 -87.99 3 3 2 24 269.477 7 ↓
Hi High (pH 8-9.5) 3.16 5.29 -35.53 2 3 1 23 268.469 7 ↓

Analogs

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Popular Name: N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]prop-2-en-1-amine N-[2-(4-cyclopentylpiperazin-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) 1.71 6.1 -88.56 3 3 2 24 239.407 6 ↓
Hi High (pH 8-9.5) 1.71 2.51 -1.11 1 3 0 19 237.391 6 ↓
Hi High (pH 8-9.5) 1.71 4.72 -31.21 2 3 1 20 238.399 6 ↓

Analogs

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Popular Name: N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-2-ethoxy-ethanamine N-[2-(4-cyclopentylpiperazin-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) 1.43 5.65 -87.39 3 4 2 34 271.449 8 ↓
Hi High (pH 8-9.5) 1.43 2.09 -1.94 1 4 0 28 269.433 8 ↓
Hi High (pH 8-9.5) 1.43 4.29 -31.32 2 4 1 29 270.441 8 ↓

Analogs

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Popular Name: N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-4-methyl-pentan-1-amine N-[2-(4-cyclopentylpiperazin-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) 2.99 8.36 -91.13 3 3 2 24 283.504 8 ↓
Hi High (pH 8-9.5) 2.99 6.16 -39.08 2 3 1 23 282.496 8 ↓

Analogs

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Popular Name: N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-3,3-dimethyl-butan-1-amine N-[2-(4-cyclopentylpiperazin-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) 3.04 7.96 -91.76 3 3 2 24 283.504 7 ↓
Hi High (pH 8-9.5) 3.04 5.75 -39.3 2 3 1 23 282.496 7 ↓

Analogs

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Popular Name: N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-2-methylsulfonyl-ethanamine N-[2-(4-cyclopentylpiperazin-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) 0.47 3.07 -106.22 3 5 2 58 305.488 7 ↓
Hi High (pH 8-9.5) 0.47 -0.49 -12.22 1 5 0 53 303.472 7 ↓
Mid Mid (pH 6-8) 0.47 1.71 -41.93 2 5 1 54 304.48 7 ↓

Analogs

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Popular Name: N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-4-ethoxy-butan-1-amine N-[2-(4-cyclopentylpiperazin-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) 1.97 7.11 -92.86 3 4 2 34 299.503 10 ↓
Hi High (pH 8-9.5) 1.97 4.91 -41.25 2 4 1 32 298.495 10 ↓

Analogs

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Popular Name: 2-butoxy-N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]ethanamine 2-butoxy-N-[2-(4-cyclopentylpipe…

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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) 2.49 7.23 -87.94 3 4 2 34 299.503 10 ↓
Hi High (pH 8-9.5) 2.49 3.67 -1.74 1 4 0 28 297.487 10 ↓
Hi High (pH 8-9.5) 2.49 5.87 -31.15 2 4 1 29 298.495 10 ↓

Analogs

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Popular Name: N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-2,2,2-trifluoro-ethanamine N-[2-(4-cyclopentylpiperazin-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) 1.99 4.63 -33.93 2 3 1 20 280.358 6 ↓
Hi High (pH 8-9.5) 1.99 2.14 -2.65 1 3 0 19 279.35 6 ↓
Mid Mid (pH 6-8) 1.99 5.99 -96.3 3 3 2 24 281.366 6 ↓

Analogs

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Popular Name: (2R)-N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-3-methyl-butan-2-amine (2R)-N-[2-(4-cyclopentylpiperazi…

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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) 2.87 7.24 -88.48 3 3 2 24 269.477 6 ↓
Hi High (pH 8-9.5) 2.87 5.07 -35.97 2 3 1 23 268.469 6 ↓

Analogs

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Popular Name: (2S)-N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-3-methyl-butan-2-amine (2S)-N-[2-(4-cyclopentylpiperazi…

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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) 2.87 7.37 -87.85 3 3 2 24 269.477 6 ↓
Hi High (pH 8-9.5) 2.87 5.19 -35.5 2 3 1 23 268.469 6 ↓

Analogs

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Popular Name: N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-3-ethoxy-propan-1-amine N-[2-(4-cyclopentylpiperazin-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) 1.70 6.33 -92.35 3 4 2 34 285.476 9 ↓
Hi High (pH 8-9.5) 1.70 4.13 -40.55 2 4 1 32 284.468 9 ↓

Analogs

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Popular Name: (2R)-N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-5-methyl-hexan-2-amine (2R)-N-[2-(4-cyclopentylpiperazi…

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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) 3.67 8.92 -89.75 3 3 2 24 297.531 8 ↓
Hi High (pH 8-9.5) 3.67 6.75 -36.99 2 3 1 23 296.523 8 ↓

Analogs

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Popular Name: (2S)-N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-5-methyl-hexan-2-amine (2S)-N-[2-(4-cyclopentylpiperazi…

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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) 3.67 8.92 -89.79 3 3 2 24 297.531 8 ↓
Hi High (pH 8-9.5) 3.67 6.73 -37.08 2 3 1 23 296.523 8 ↓

Analogs

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Popular Name: N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]prop-2-yn-1-amine N-[2-(4-cyclopentylpiperazin-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) 1.23 4.65 -33 2 3 1 20 236.383 5 ↓
Hi High (pH 8-9.5) 1.23 2.45 -2.49 1 3 0 19 235.375 5 ↓
Mid Mid (pH 6-8) 1.23 6.04 -91 3 3 2 24 237.391 5 ↓

Analogs

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Popular Name: N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]pentan-1-amine N-[2-(4-cyclopentylpiperazin-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) 3.01 7.85 -90.29 3 3 2 24 269.477 8 ↓
Hi High (pH 8-9.5) 3.01 5.65 -38.51 2 3 1 23 268.469 8 ↓

Analogs

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Popular Name: N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]hexan-1-amine N-[2-(4-cyclopentylpiperazin-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) 3.52 8.64 -90.52 3 3 2 24 283.504 9 ↓
Hi High (pH 8-9.5) 3.52 6.43 -38.68 2 3 1 23 282.496 9 ↓

Analogs

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Popular Name: (2R)-N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]heptan-2-amine (2R)-N-[2-(4-cyclopentylpiperazi…

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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) 4.20 9.18 -89.54 3 3 2 24 297.531 9 ↓
Hi High (pH 8-9.5) 4.20 7.01 -36.82 2 3 1 23 296.523 9 ↓

Analogs

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Popular Name: (2S)-N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]heptan-2-amine (2S)-N-[2-(4-cyclopentylpiperazi…

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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) 4.20 9.19 -89.46 3 3 2 24 297.531 9 ↓
Hi High (pH 8-9.5) 4.20 7.01 -36.89 2 3 1 23 296.523 9 ↓

Analogs

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Popular Name: N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-2-methyl-butan-2-amine N-[2-(4-cyclopentylpiperazin-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) 3.11 6.97 -86.85 3 3 2 24 269.477 6 ↓
Hi High (pH 8-9.5) 3.11 4.77 -34.74 2 3 1 23 268.469 6 ↓

Analogs

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Popular Name: N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-3-isopropoxy-propan-1-amine N-[2-(4-cyclopentylpiperazin-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) 2.06 7.07 -92.36 3 4 2 34 299.503 9 ↓
Hi High (pH 8-9.5) 2.06 4.87 -40.45 2 4 1 32 298.495 9 ↓

Analogs

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Popular Name: N'-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-N,N-dimethyl-ethane-1,2-diamine N'-[2-(4-cyclopentylpiperazin-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) 1.10 4.36 -90.57 3 4 2 28 270.465 7 ↓
Hi High (pH 8-9.5) 1.10 2.99 -31.8 2 4 1 23 269.457 7 ↓
Hi High (pH 8-9.5) 1.10 3.26 -33.24 2 4 1 23 269.457 7 ↓

Analogs

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Popular Name: N'-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-N,N-diethyl-ethane-1,2-diamine N'-[2-(4-cyclopentylpiperazin-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) 1.85 8.17 -177.32 4 4 3 29 299.527 9 ↓
Hi High (pH 8-9.5) 1.85 4.61 -31.25 2 4 1 23 297.511 9 ↓
Mid Mid (pH 6-8) 1.85 6.04 -91.54 3 4 2 28 298.519 9 ↓

Analogs

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Popular Name: N'-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-N,N-dimethyl-propane-1,3-diamine N'-[2-(4-cyclopentylpiperazin-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) 1.37 7.61 -164.81 4 4 3 29 285.5 8 ↓
Hi High (pH 8-9.5) 1.37 2.92 -39.92 2 4 1 26 283.484 8 ↓
Mid Mid (pH 6-8) 1.37 5.12 -91.84 3 4 2 28 284.492 8 ↓

Analogs

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Popular Name: 2-[4-[(1R,2R)-2-(aminomethyl)cyclopentyl]piperazin-1-yl]ethanol 2-[4-[(1R,2R)-2-(aminomethyl)cyc…

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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) -0.33 -0.07 -111.03 5 4 2 56 229.368 4 ↓
Mid Mid (pH 6-8) -0.33 -1.34 -45.23 4 4 1 54 228.36 4 ↓

Analogs

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Popular Name: 2-[4-[(1R,2S)-2-(aminomethyl)cyclopentyl]piperazin-1-yl]ethanol 2-[4-[(1R,2S)-2-(aminomethyl)cyc…

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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) -0.33 -0.15 -108.08 5 4 2 56 229.368 4 ↓
Mid Mid (pH 6-8) -0.33 -2.4 -46.25 4 4 1 54 228.36 4 ↓

Analogs

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Popular Name: 2-[4-[(1S,2R)-2-(aminomethyl)cyclopentyl]piperazin-1-yl]ethanol 2-[4-[(1S,2R)-2-(aminomethyl)cyc…

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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) -0.33 -0.18 -109.78 5 4 2 56 229.368 4 ↓
Mid Mid (pH 6-8) -0.33 -2.32 -46.54 4 4 1 54 228.36 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[(1S,2S)-2-(aminomethyl)cyclopentyl]piperazin-1-yl]ethanol 2-[4-[(1S,2S)-2-(aminomethyl)cyc…

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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) -0.33 -0.08 -111.53 5 4 2 56 229.368 4 ↓
Mid Mid (pH 6-8) -0.33 -1.32 -44.53 4 4 1 54 228.36 4 ↓

Analogs

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Popular Name: (2S)-2-(4-cyclopentylpiperazin-1-yl)-N-(2-methoxyethyl)propan-1-amine (2S)-2-(4-cyclopentylpiperazin-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) 1.38 5.58 -90.66 3 4 2 34 271.449 7 ↓
Hi High (pH 8-9.5) 1.38 2.04 -2.2 1 4 0 28 269.433 7 ↓
Hi High (pH 8-9.5) 1.38 4.22 -32.95 2 4 1 29 270.441 7 ↓

Analogs

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Popular Name: (2R)-2-(4-cyclopentylpiperazin-1-yl)-N-(2-methoxyethyl)propan-1-amine (2R)-2-(4-cyclopentylpiperazin-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) 1.38 5.62 -88.6 3 4 2 34 271.449 7 ↓
Hi High (pH 8-9.5) 1.38 1.7 -2.78 1 4 0 28 269.433 7 ↓
Hi High (pH 8-9.5) 1.38 3.87 -29.27 2 4 1 29 270.441 7 ↓

Analogs

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Popular Name: (2S)-N-allyl-2-(4-cyclopentylpiperazin-1-yl)propan-1-amine (2S)-N-allyl-2-(4-cyclopentylpip…

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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) 2.04 6.99 -91.39 3 3 2 24 253.434 6 ↓
Hi High (pH 8-9.5) 2.04 3.52 -0.6 1 3 0 19 251.418 6 ↓
Hi High (pH 8-9.5) 2.04 4.83 -35.19 2 3 1 23 252.426 6 ↓

Analogs

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Popular Name: (2R)-N-allyl-2-(4-cyclopentylpiperazin-1-yl)propan-1-amine (2R)-N-allyl-2-(4-cyclopentylpip…

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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) 2.04 7.05 -90.92 3 3 2 24 253.434 6 ↓
Hi High (pH 8-9.5) 2.04 4.88 -35.3 2 3 1 23 252.426 6 ↓
Hi High (pH 8-9.5) 2.04 3.15 -1.12 1 3 0 19 251.418 6 ↓

Analogs

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Popular Name: N-[(2R)-2-(4-cyclopentylpiperazin-1-yl)propyl]-2-methyl-butan-2-amine N-[(2R)-2-(4-cyclopentylpiperazi…

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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) 3.44 7.93 -89.98 3 3 2 24 283.504 6 ↓
Hi High (pH 8-9.5) 3.44 5.76 -32.15 2 3 1 23 282.496 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-cyclopentylpiperazin-1-yl)propyl]-2-methyl-butan-2-amine N-[(2S)-2-(4-cyclopentylpiperazi…

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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) 3.44 7.99 -89.72 3 3 2 24 283.504 6 ↓
Hi High (pH 8-9.5) 3.44 5.78 -32.1 2 3 1 23 282.496 6 ↓

Analogs

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Popular Name: (2R)-N-[(2R)-2-(4-cyclopentylpiperazin-1-yl)propyl]butan-2-amine (2R)-N-[(2R)-2-(4-cyclopentylpip…

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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 7.83 -89.77 3 3 2 24 269.477 6 ↓
Hi High (pH 8-9.5) 2.96 5.65 -32.87 2 3 1 23 268.469 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(2R)-2-(4-cyclopentylpiperazin-1-yl)propyl]butan-2-amine (2S)-N-[(2R)-2-(4-cyclopentylpip…

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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 7.83 -89.9 3 3 2 24 269.477 6 ↓
Hi High (pH 8-9.5) 2.96 5.65 -32.67 2 3 1 23 268.469 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(2S)-2-(4-cyclopentylpiperazin-1-yl)propyl]butan-2-amine (2R)-N-[(2S)-2-(4-cyclopentylpip…

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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 7.96 -89.65 3 3 2 24 269.477 6 ↓
Hi High (pH 8-9.5) 2.96 5.8 -32.51 2 3 1 23 268.469 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(2S)-2-(4-cyclopentylpiperazin-1-yl)propyl]butan-2-amine (2S)-N-[(2S)-2-(4-cyclopentylpip…

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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 7.79 -89.57 3 3 2 24 269.477 6 ↓
Hi High (pH 8-9.5) 2.96 5.62 -32.95 2 3 1 23 268.469 6 ↓

Parameters Provided:

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filter.purchasability = annotated
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Structural Results Found: (before additional filtering)

SQL Query Was

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