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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: 1-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-(2-methylpyridin-1-ium-1-yl)ethanone 1-(1-isopentyl-2,5-dimethyl-pyrr…

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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) -1.13 12.6 -28.82 0 3 1 26 299.438 6 ↓

Analogs

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Popular Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-(4-methylpyridin-1-ium-1-yl)ethanone 1-(2,5-dimethyl-1-propyl-pyrrol-…

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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) -2.69 11.68 -29.98 0 3 1 26 271.384 5 ↓

Analogs

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Popular Name: 2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone 2-[4-(1-ethylpropyl)pyridin-1-iu…

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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) -1.83 12.53 -32 0 4 1 35 343.491 9 ↓

Analogs

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Popular Name: 2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-1-[1-[(1S)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-y 2-[4-(1-ethylpropyl)pyridin-1-iu…

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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) -1.47 12.85 -31.63 0 4 1 35 357.518 9 ↓

Analogs

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Popular Name: 2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-1-[1-[(1R)-2-methoxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-y 2-[4-(1-ethylpropyl)pyridin-1-iu…

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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) -1.47 12.87 -31.65 0 4 1 35 357.518 9 ↓

Analogs

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Popular Name: 2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]-1-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)ethanone 2-[4-(1-ethylpropyl)pyridin-1-iu…

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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) -0.17 15.53 -30.3 0 3 1 26 355.546 9 ↓

Analogs

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Popular Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]ethanone 1-(2,5-dimethyl-1-propyl-pyrrol-…

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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 14.25 -30.51 0 3 1 26 327.492 8 ↓

Analogs

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Popular Name: 1-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-(3-methylpyridin-1-ium-1-yl)ethanone 1-(1-isopentyl-2,5-dimethyl-pyrr…

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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) -0.95 12.95 -29.71 0 3 1 26 299.438 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-(3-methylpyridin-1-ium-1-yl)ethanone 1-(2,5-dimethyl-1-propyl-pyrrol-…

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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 11.67 -29.81 0 3 1 26 271.384 5 ↓

Parameters Provided:

ring.id = 175220
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 = 175220 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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