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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4551685
4551685

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Popular Name: N-allyl-1-[4-[(3,4-dimethylphenyl)carbamoylmethoxy]phenyl]-5-oxo-pyrrolidine-3-carboxamide N-allyl-1-[4-[(3,4-dimethylpheny…

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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) 2.84 -0.85 -23.1 2 7 0 87 421.497 8 ↓

Analogs

4551684
4551684

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-1-[4-[(3,4-dimethylphenyl)carbamoylmethoxy]phenyl]-5-oxo-pyrrolidine-3-carboxamide N-allyl-1-[4-[(3,4-dimethylpheny…

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) 2.84 -0.71 -27.32 2 7 0 87 421.497 8 ↓

Analogs

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Popular Name: N-[3-(isopropoxymethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide N-[3-(isopropoxymethyl)phenyl]-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) 2.83 9.55 -18.3 1 6 0 68 382.46 8 ↓

Analogs

4376452
4376452
4455579
4455579
4490555
4490555

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Popular Name: N-(2-ethoxy-4-methyl-phenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide N-(2-ethoxy-4-methyl-phenyl)-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) 2.97 9.11 -16.65 1 6 0 68 368.433 7 ↓

Parameters Provided:

ring.id = 38135
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 = 38135 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=38135&filter.purchasability=annotated

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