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

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2R)-2-ethylpyrrolidin-1-yl]methyl]cyclopentanone (2S)-2-[[(2R)-2-ethylpyrrolidin-…

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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 7.75 -34.45 1 2 1 22 196.314 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]cyclopentanone (2S)-2-[[(2S)-2-ethylpyrrolidin-…

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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 7.25 -31.88 1 2 1 22 196.314 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopentanone (2S)-2-[[(2R)-2-methylpyrrolidin…

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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) 1.52 7.01 -34.76 1 2 1 22 182.287 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopentanone (2S)-2-[[(2S)-2-methylpyrrolidin…

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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) 1.52 7.1 -29.94 1 2 1 22 182.287 2 ↓

Analogs

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Popular Name: (2S)-2-[[(3R)-3-methylpyrrolidin-1-yl]methyl]cyclopentanone (2S)-2-[[(3R)-3-methylpyrrolidin…

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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) 1.67 6.96 -36.89 1 2 1 22 182.287 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(3S)-3-methylpyrrolidin-1-yl]methyl]cyclopentanone (2S)-2-[[(3S)-3-methylpyrrolidin…

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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) 1.67 6.98 -37.19 1 2 1 22 182.287 2 ↓

Analogs

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Popular Name: (2R)-2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopentanone (2R)-2-[[(2R)-2-(hydroxymethyl)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) 0.55 3.48 -32.6 2 3 1 42 198.286 3 ↓
Hi High (pH 8-9.5) 0.55 1.78 -6.73 1 3 0 41 197.278 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopentanone (2S)-2-[[(2R)-2-(hydroxymethyl)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) 0.55 3.91 -30.98 2 3 1 42 198.286 3 ↓
Hi High (pH 8-9.5) 0.55 1.94 -7.72 1 3 0 41 197.278 3 ↓

Analogs

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Popular Name: (2R)-2-[[(2R)-2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]cyclopentanone (2R)-2-[[(2R)-2-(3-hydroxypropyl…

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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 4.88 -34.09 2 3 1 42 226.34 5 ↓

Analogs

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Popular Name: (2S)-2-[[(2R)-2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]cyclopentanone (2S)-2-[[(2R)-2-(3-hydroxypropyl…

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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 5.4 -32.26 2 3 1 42 226.34 5 ↓

Analogs

70614247
70614247
70614248
70614248

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(pyrrolidin-1-ium-1-ylmethyl)cyclopentanone (2R)-2-(pyrrolidin-1-ium-1-ylmet…

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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) 1.19 6.36 -36.89 1 2 1 22 168.26 2 ↓

Analogs

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Popular Name: (2S)-2-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopentanone (2S)-2-[[(3R)-3-(dimethylamino)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) 0.94 5.41 -36.32 1 3 1 25 211.329 3 ↓
Hi High (pH 8-9.5) 0.94 3.01 -5.55 0 3 0 24 210.321 3 ↓
Lo Low (pH 4.5-6) 0.94 7.59 -101.14 2 3 2 26 212.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopentanone (2S)-2-[[(3S)-3-(dimethylamino)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) 0.94 5.41 -35.57 1 3 1 25 211.329 3 ↓
Hi High (pH 8-9.5) 0.94 3.02 -6.1 0 3 0 24 210.321 3 ↓
Lo Low (pH 4.5-6) 0.94 7.61 -100.74 2 3 2 26 212.337 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(3R)-3-(diethylamino)pyrrolidin-1-yl]methyl]cyclopentanone (2S)-2-[[(3R)-3-(diethylamino)py…

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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 6.2 -35.03 1 3 1 25 239.383 5 ↓
Hi High (pH 8-9.5) 1.69 4.05 -3.88 0 3 0 24 238.375 5 ↓
Lo Low (pH 4.5-6) 1.69 8.52 -111.06 2 3 2 26 240.391 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(3S)-3-(diethylamino)pyrrolidin-1-yl]methyl]cyclopentanone (2S)-2-[[(3S)-3-(diethylamino)py…

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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 6.2 -34.77 1 3 1 25 239.383 5 ↓
Hi High (pH 8-9.5) 1.69 4.07 -4.15 0 3 0 24 238.375 5 ↓
Lo Low (pH 4.5-6) 1.69 8.52 -109.45 2 3 2 26 240.391 5 ↓

Parameters Provided:

ring.id = 114992
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 = 114992 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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