UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14236908
14236908
16551694
16551694
16551697
16551697

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Popular Name: [(1R)-2-[(4-methoxyphenyl)amino]-2-oxo-1-phenyl-ethyl] [(1R)-2-[(4-methoxyphenyl)amino]…

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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) 3.47 8.18 -14.92 2 7 0 90 411.483 8 ↓

Analogs

16551694
16551694
16551697
16551697
14236905
14236905

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Popular Name: [(1S)-2-[(4-methoxyphenyl)amino]-2-oxo-1-phenyl-ethyl] [(1S)-2-[(4-methoxyphenyl)amino]…

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) 3.47 8.2 -14.52 2 7 0 90 411.483 8 ↓

Parameters Provided:

ring.id = 235267
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 = 235267 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=235267&filter.purchasability=annotated

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