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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: cyclopentyl-[2-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-dimethyl-ammonium cyclopentyl-[2-(1-isopentyl-2,5-…

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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) -0.08 14.01 -30.23 0 3 1 22 319.513 7 ↓

Analogs

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Popular Name: cyclopentyl-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl]-dimethyl-ammonium cyclopentyl-[2-(2,5-dimethyl-1-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) -0.85 12.7 -30.27 0 3 1 22 291.459 6 ↓

Analogs

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Popular Name: 2-(cyclopentylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone 2-(cyclopentylamino)-1-(1,2,5-tr…

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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) 2.00 7.9 -36.61 2 3 1 39 235.351 4 ↓
Mid Mid (pH 6-8) 2.00 6.7 -7.16 1 3 0 34 234.343 4 ↓

Analogs

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Popular Name: 2-(cyclopentylamino)-1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone 2-(cyclopentylamino)-1-(1-isopro…

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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) 2.74 9.02 -36.03 2 3 1 39 263.405 5 ↓
Mid Mid (pH 6-8) 2.74 7.81 -6.6 1 3 0 34 262.397 5 ↓

Analogs

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Popular Name: 1-(1-tert-butyl-2,5-dimethyl-pyrrol-3-yl)-2-(cyclopentylamino)ethanone 1-(1-tert-butyl-2,5-dimethyl-pyr…

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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 9.33 -35.85 2 3 1 39 277.432 5 ↓
Mid Mid (pH 6-8) 3.19 8.13 -6.71 1 3 0 34 276.424 5 ↓

Analogs

23622727
23622727

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Popular Name: 2-[cyclopentyl(methyl)amino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone 2-[cyclopentyl(methyl)amino]-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) 2.18 8.2 -32.46 2 3 1 37 235.351 4 ↓
Hi High (pH 8-9.5) 2.18 6 -6.56 1 3 0 36 234.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopentyl(methyl)amino]-1-(1-methylpyrrol-3-yl)ethanone 2-[cyclopentyl(methyl)amino]-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) 1.80 8.79 -32.96 1 3 1 26 221.324 4 ↓
Hi High (pH 8-9.5) 1.80 6.58 -7.57 0 3 0 25 220.316 4 ↓

Analogs

23622727
23622727

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Popular Name: 2-[cyclopentyl(ethyl)amino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone 2-[cyclopentyl(ethyl)amino]-1-(2…

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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 8.55 -30.79 2 3 1 37 249.378 5 ↓
Hi High (pH 8-9.5) 2.55 6.52 -6.22 1 3 0 36 248.37 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopentyl(ethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone 2-[cyclopentyl(ethyl)amino]-1-(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) 2.18 9.14 -31.32 1 3 1 26 235.351 5 ↓
Hi High (pH 8-9.5) 2.18 7.11 -7.3 0 3 0 25 234.343 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopentyl(ethyl)amino]-1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)ethanone 2-[cyclopentyl(ethyl)amino]-1-(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) 3.00 10.98 -30.5 1 3 1 26 277.432 6 ↓
Hi High (pH 8-9.5) 3.00 8.98 -6.64 0 3 0 25 276.424 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopentyl(ethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone 2-[cyclopentyl(ethyl)amino]-1-(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) 2.62 10.11 -30.81 1 3 1 26 263.405 5 ↓
Hi High (pH 8-9.5) 2.62 8.07 -6.93 0 3 0 25 262.397 5 ↓

Parameters Provided:

ring.id = 175249
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 = 175249 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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