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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-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]ethanone 1-(2,5-dimethyl-1H-pyrrol-3-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) 1.66 7.48 -34.28 2 4 1 47 265.377 5 ↓
Mid Mid (pH 6-8) 1.66 5.21 -8.76 1 4 0 45 264.369 5 ↓

Analogs

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Popular Name: 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]amino]ethanone 1-(2,5-dimethyl-1H-pyrrol-3-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) 1.66 7.5 -34.6 2 4 1 47 265.377 5 ↓
Mid Mid (pH 6-8) 1.66 5.2 -8.69 1 4 0 45 264.369 5 ↓

Analogs

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

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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) 2.10 9.9 -34.06 1 4 1 36 293.431 6 ↓
Mid Mid (pH 6-8) 2.10 7.63 -9.07 0 4 0 34 292.423 6 ↓

Analogs

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

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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) 2.10 9.94 -34.44 1 4 1 36 293.431 6 ↓
Mid Mid (pH 6-8) 2.10 7.63 -9.05 0 4 0 34 292.423 6 ↓

Analogs

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Popular Name: 2-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone 2-[methyl-[[(2S)-tetrahydropyran…

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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 9.07 -34.44 1 4 1 36 279.404 5 ↓
Mid Mid (pH 6-8) 1.72 6.79 -9.46 0 4 0 34 278.396 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone 2-[methyl-[[(2R)-tetrahydropyran…

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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 9.09 -34.77 1 4 1 36 279.404 5 ↓
Mid Mid (pH 6-8) 1.72 6.78 -9.4 0 4 0 34 278.396 5 ↓

Analogs

37338582
37338582
37338584
37338584

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Popular Name: 1-(1-methylpyrrol-3-yl)-2-[methyl-[[(2S)-tetrahydropyran-2-yl]methyl]amino]ethanone 1-(1-methylpyrrol-3-yl)-2-[methy…

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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) 1.28 8.07 -34.96 1 4 1 36 251.35 5 ↓
Mid Mid (pH 6-8) 1.28 5.8 -9.96 0 4 0 34 250.342 5 ↓

Analogs

37338582
37338582
37338584
37338584

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(1-methylpyrrol-3-yl)-2-[methyl-[[(2R)-tetrahydropyran-2-yl]methyl]amino]ethanone 1-(1-methylpyrrol-3-yl)-2-[methy…

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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) 1.28 8.1 -35.39 1 4 1 36 251.35 5 ↓
Mid Mid (pH 6-8) 1.28 5.79 -9.8 0 4 0 34 250.342 5 ↓

Parameters Provided:

ring.id = 541678
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 = 541678 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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