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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: 1-(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)-2-(propylamino)ethanone 1-(1-cyclopentyl-2,5-dimethyl-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) 2.53 8.99 -36.76 2 3 1 39 263.405 6 ↓
Mid Mid (pH 6-8) 2.53 7.64 -6.25 1 3 0 34 262.397 6 ↓

Analogs

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Popular Name: 1-(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)-2-(isopropylamino)ethanone 1-(1-cyclopentyl-2,5-dimethyl-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) 2.67 8.78 -34.28 2 3 1 39 263.405 5 ↓
Mid Mid (pH 6-8) 2.67 7.58 -6.15 1 3 0 34 262.397 5 ↓

Analogs

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Popular Name: 2-(allylamino)-1-(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)ethanone 2-(allylamino)-1-(1-cyclopentyl-…

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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) 2.29 8.8 -36.95 2 3 1 39 261.389 6 ↓
Mid Mid (pH 6-8) 2.29 7.43 -6.45 1 3 0 34 260.381 6 ↓

Analogs

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Popular Name: 2-(butylamino)-1-(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)ethanone 2-(butylamino)-1-(1-cyclopentyl-…

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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) 3.09 9.77 -37.56 2 3 1 39 277.432 7 ↓
Mid Mid (pH 6-8) 3.09 8.42 -6.2 1 3 0 34 276.424 7 ↓

Analogs

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Popular Name: 1-(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)-2-(isobutylamino)ethanone 1-(1-cyclopentyl-2,5-dimethyl-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) 2.77 9.69 -36.71 2 3 1 39 277.432 6 ↓
Mid Mid (pH 6-8) 2.77 8.48 -5.94 1 3 0 34 276.424 6 ↓

Analogs

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Popular Name: 1-(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)-2-[[(1R)-1-methylpropyl]amino]ethanone 1-(1-cyclopentyl-2,5-dimethyl-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) 3.21 9.57 -33.93 2 3 1 39 277.432 6 ↓
Mid Mid (pH 6-8) 3.21 8.52 -5.92 1 3 0 34 276.424 6 ↓

Analogs

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Popular Name: 1-(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)-2-[[(1S)-1-methylpropyl]amino]ethanone 1-(1-cyclopentyl-2,5-dimethyl-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) 3.21 9.56 -33.93 2 3 1 39 277.432 6 ↓
Mid Mid (pH 6-8) 3.21 8.36 -6.12 1 3 0 34 276.424 6 ↓

Analogs

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Popular Name: 1-(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)-2-(2-methoxyethylamino)ethanone 1-(1-cyclopentyl-2,5-dimethyl-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) 1.63 5.96 -8.49 1 4 0 43 278.396 7 ↓
Mid Mid (pH 6-8) 1.63 7.39 -36.89 2 4 1 48 279.404 7 ↓

Analogs

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Popular Name: 1-(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)-2-(3-methoxypropylamino)ethanone 1-(1-cyclopentyl-2,5-dimethyl-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) 1.90 8.08 -40.34 2 4 1 48 293.431 8 ↓
Mid Mid (pH 6-8) 1.90 6.72 -7.98 1 4 0 43 292.423 8 ↓

Analogs

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Popular Name: 1-(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)-2-(2-dimethylaminoethylamino)ethanone 1-(1-cyclopentyl-2,5-dimethyl-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) 1.68 8.18 -36.68 2 4 1 38 292.447 7 ↓
Hi High (pH 8-9.5) 1.68 5.71 -6.35 1 4 0 37 291.439 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)-2-(isopentylamino)ethanone 1-(1-cyclopentyl-2,5-dimethyl-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) 3.30 10.29 -38.1 2 3 1 39 291.459 7 ↓
Mid Mid (pH 6-8) 3.30 8.93 -6.02 1 3 0 34 290.451 7 ↓

Analogs

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Popular Name: 1-(1-cyclopentyl-2,5-dimethyl-pyrrol-3-yl)-2-(pentylamino)ethanone 1-(1-cyclopentyl-2,5-dimethyl-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) 3.59 10.55 -37.89 2 3 1 39 291.459 8 ↓
Mid Mid (pH 6-8) 3.59 9.2 -6.18 1 3 0 34 290.451 8 ↓

Parameters Provided:

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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 = 25640 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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