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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]cyclopentanamine N-[2-[4-(2,2,2-trifluoroethyl)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) 2.34 3.8 -39.45 2 3 1 23 280.358 6 ↓
Lo Low (pH 4.5-6) 2.34 6.05 -119.97 3 3 2 24 281.366 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]cyclopentanamine N-[(2S)-2-(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) 1.75 5.88 -90.21 3 3 2 24 227.396 4 ↓
Hi High (pH 8-9.5) 1.75 3.52 -34.97 2 3 1 23 226.388 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]cyclopentanamine N-[(2R)-2-(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) 1.75 5.87 -89.95 3 3 2 24 227.396 4 ↓
Hi High (pH 8-9.5) 1.75 3.5 -35.15 2 3 1 23 226.388 4 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-propylpiperazin-1-yl)propyl]cyclopentanamine N-[(2S)-2-(4-propylpiperazin-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) 2.63 7.39 -91.55 3 3 2 24 255.45 6 ↓
Hi High (pH 8-9.5) 2.63 5.13 -34.6 2 3 1 23 254.442 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-propylpiperazin-1-yl)propyl]cyclopentanamine N-[(2R)-2-(4-propylpiperazin-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) 2.63 7.29 -91.48 3 3 2 24 255.45 6 ↓
Hi High (pH 8-9.5) 2.63 5.03 -34.93 2 3 1 23 254.442 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]cyclopentanamine N-[(2S)-2-[4-(2,2,2-trifluoroeth…

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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) 2.67 4.88 -38.97 2 3 1 23 294.385 6 ↓
Lo Low (pH 4.5-6) 2.67 6.7 -122.73 3 3 2 24 295.393 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]cyclopentanamine N-[(2R)-2-[4-(2,2,2-trifluoroeth…

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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) 2.67 4.82 -38.18 2 3 1 23 294.385 6 ↓
Lo Low (pH 4.5-6) 2.67 6.73 -121.48 3 3 2 24 295.393 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-isopropylpiperazin-1-yl)propyl]cyclopentanamine N-[(2S)-2-(4-isopropylpiperazin-…

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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 7.08 -89.84 3 3 2 24 255.45 5 ↓
Hi High (pH 8-9.5) 2.42 4.85 -34.61 2 3 1 23 254.442 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-isopropylpiperazin-1-yl)propyl]cyclopentanamine N-[(2R)-2-(4-isopropylpiperazin-…

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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 7.06 -89.63 3 3 2 24 255.45 5 ↓
Hi High (pH 8-9.5) 2.42 4.84 -34.8 2 3 1 23 254.442 5 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-tert-butylpiperazin-1-yl)propyl]cyclopentanamine N-[(2S)-2-(4-tert-butylpiperazin…

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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) 2.93 7.3 -89.22 3 3 2 24 269.477 5 ↓
Hi High (pH 8-9.5) 2.93 5.16 -34.61 2 3 1 23 268.469 5 ↓

Analogs

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Popular Name: N-[(2R)-2-(4-tert-butylpiperazin-1-yl)propyl]cyclopentanamine N-[(2R)-2-(4-tert-butylpiperazin…

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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) 2.93 7.27 -88.87 3 3 2 24 269.477 5 ↓
Hi High (pH 8-9.5) 2.93 5.15 -34.83 2 3 1 23 268.469 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]propyl]cyclopentanamine N-[(2S)-2-[4-[(1R)-1-methylpropy…

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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 7.77 -90.41 3 3 2 24 269.477 6 ↓
Hi High (pH 8-9.5) 2.96 5.89 -34.39 2 3 1 23 268.469 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]propyl]cyclopentanamine N-[(2S)-2-[4-[(1S)-1-methylpropy…

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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 7.74 -90.16 3 3 2 24 269.477 6 ↓
Hi High (pH 8-9.5) 2.96 5.86 -34.43 2 3 1 23 268.469 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]propyl]cyclopentanamine N-[(2R)-2-[4-[(1R)-1-methylpropy…

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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 7.64 -89.79 3 3 2 24 269.477 6 ↓
Hi High (pH 8-9.5) 2.96 5.71 -34.73 2 3 1 23 268.469 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]propyl]cyclopentanamine N-[(2R)-2-[4-[(1S)-1-methylpropy…

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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 7.64 -89.97 3 3 2 24 269.477 6 ↓
Hi High (pH 8-9.5) 2.96 5.68 -34.76 2 3 1 23 268.469 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-[(1R)-1-methylpropyl]piperazin-1-yl]ethyl]cyclopentanamine N-[2-[4-[(1R)-1-methylpropyl]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) 2.63 6.64 -87.56 3 3 2 24 255.45 6 ↓
Hi High (pH 8-9.5) 2.63 4.7 -36.84 2 3 1 23 254.442 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]ethyl]cyclopentanamine N-[2-[4-[(1S)-1-methylpropyl]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) 2.63 6.69 -87.4 3 3 2 24 255.45 6 ↓
Hi High (pH 8-9.5) 2.63 4.77 -36.74 2 3 1 23 254.442 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-isobutylpiperazin-1-yl)propyl]cyclopentanamine N-[(2S)-2-(4-isobutylpiperazin-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.87 8 -92.23 3 3 2 24 269.477 6 ↓
Hi High (pH 8-9.5) 2.87 6.02 -34.47 2 3 1 23 268.469 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-isobutylpiperazin-1-yl)propyl]cyclopentanamine N-[(2R)-2-(4-isobutylpiperazin-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.87 7.97 -92.16 3 3 2 24 269.477 6 ↓
Hi High (pH 8-9.5) 2.87 6.01 -34.73 2 3 1 23 268.469 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-isobutylpiperazin-1-yl)ethyl]cyclopentanamine N-[2-(4-isobutylpiperazin-1-yl)e…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.54 7.01 -89.34 3 3 2 24 255.45 6 ↓
Hi High (pH 8-9.5) 2.54 5.03 -37.06 2 3 1 23 254.442 6 ↓

Analogs

52061181
52061181
52061183
52061183
52061291
52061291
52061293
52061293
37482564
37482564

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Popular Name: N-[2-(4-tert-butylpiperazin-1-yl)ethyl]cyclopentanamine N-[2-(4-tert-butylpiperazin-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) 2.60 6.31 -86.88 3 3 2 24 255.45 5 ↓
Hi High (pH 8-9.5) 2.60 4.17 -36.92 2 3 1 23 254.442 5 ↓

Parameters Provided:

ring.id = 46597
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 = 46597 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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