UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3R)-3-methyl-N-[2-(2-nitroanilino)ethyl]-1-oxo-isochromane-3-carboxamide (3R)-3-methyl-N-[2-(2-nitroanili…

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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 7.94 -14.43 2 8 0 113 369.377 6 ↓

Analogs

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Popular Name: (3S)-3-methyl-N-[2-(2-nitroanilino)ethyl]-1-oxo-isochromane-3-carboxamide (3S)-3-methyl-N-[2-(2-nitroanili…

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) 2.69 8.09 -14.99 2 8 0 113 369.377 6 ↓

Analogs

42105730
42105730

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Popular Name: (3R)-N-[2-(2-cyano-3-fluoro-anilino)ethyl]-1-oxo-isochromane-3-carboxamide (3R)-N-[2-(2-cyano-3-fluoro-anil…

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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) 2.16 7.72 -27.72 2 6 0 91 353.353 5 ↓

Analogs

42105726
42105726

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Popular Name: (3S)-N-[2-(2-cyano-3-fluoro-anilino)ethyl]-1-oxo-isochromane-3-carboxamide (3S)-N-[2-(2-cyano-3-fluoro-anil…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.16 7.72 -27.72 2 6 0 91 353.353 5 ↓

Parameters Provided:

ring.id = 430796
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 = 430796 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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