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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: (4R)-1-allyl-4-[1-[(2R)-2-methylbutyl]benzimidazol-2-yl]pyrrolidin-2-one (4R)-1-allyl-4-[1-[(2R)-2-methyl…

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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) 3.32 9.91 -11.84 0 4 0 38 311.429 6 ↓
Mid Mid (pH 6-8) 3.32 11.03 -35.69 1 4 1 39 312.437 6 ↓

Analogs

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Popular Name: (4R)-1-allyl-4-[1-[(2S)-2-methylbutyl]benzimidazol-2-yl]pyrrolidin-2-one (4R)-1-allyl-4-[1-[(2S)-2-methyl…

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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) 3.32 10.35 -12.04 0 4 0 38 311.429 6 ↓
Mid Mid (pH 6-8) 3.32 10.85 -36.13 1 4 1 39 312.437 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-allyl-4-[1-[(2R)-2-methylbutyl]benzimidazol-2-yl]pyrrolidin-2-one (4S)-1-allyl-4-[1-[(2R)-2-methyl…

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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) 3.32 9.88 -12.55 0 4 0 38 311.429 6 ↓
Mid Mid (pH 6-8) 3.32 10.51 -34.75 1 4 1 39 312.437 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-allyl-4-[1-[(2S)-2-methylbutyl]benzimidazol-2-yl]pyrrolidin-2-one (4S)-1-allyl-4-[1-[(2S)-2-methyl…

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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) 3.32 10.34 -12.73 0 4 0 38 311.429 6 ↓
Mid Mid (pH 6-8) 3.32 10.88 -35.81 1 4 1 39 312.437 6 ↓

Analogs

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Popular Name: (4R)-1-butyl-4-[1-(2-ethoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one (4R)-1-butyl-4-[1-(2-ethoxyethyl…

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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) 2.85 9.52 -11.82 0 5 0 47 329.444 8 ↓
Mid Mid (pH 6-8) 2.85 10.01 -36.93 1 5 1 49 330.452 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-1-butyl-4-[1-(2-ethoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one (4S)-1-butyl-4-[1-(2-ethoxyethyl…

Find On: PubMed — Wikipedia — Google

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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) 2.85 9.53 -12.34 0 5 0 47 329.444 8 ↓
Mid Mid (pH 6-8) 2.85 10.03 -36.93 1 5 1 49 330.452 8 ↓

Parameters Provided:

ring.id = 390547
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 = 390547 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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