UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12028840
12028840

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Popular Name: N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-[(4S,6R)-6-methyl-2-thioxo-hexahydr N-[[(2S)-5-(2-acetylphenyl)-2,3-…

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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) 4.62 -5.36 -26.82 3 6 0 79 437.565 6 ↓

Analogs

12028834
12028834

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Popular Name: N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-[(4S,6R)-6-methyl-2-thioxo-hexahydr N-[[(2R)-5-(2-acetylphenyl)-2,3-…

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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) 4.62 -5.35 -26.48 3 6 0 79 437.565 6 ↓

Analogs

12034429
12034429

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Popular Name: N-[[(2R)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-[(4S,6R)-6-methyl-2-t N-[[(2R)-7-chloro-5-(2,5-dimetho…

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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) 5.42 -5.81 -24.47 3 7 0 81 490.025 7 ↓

Analogs

12034426
12034426

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Popular Name: N-[[(2S)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-[(4S,6R)-6-methyl-2-t N-[[(2S)-7-chloro-5-(2,5-dimetho…

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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) 5.42 -5.82 -26.32 3 7 0 81 490.025 7 ↓

Parameters Provided:

ring.id = 79263
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 = 79263 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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