UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3016870
3016870
1179092
1179092

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Popular Name: N-[2-(4-cyano-4-phenyl-1-piperidyl)-2-oxo-ethyl]-4-methyl-N-phenyl-benzenesulfonamide N-[2-(4-cyano-4-phenyl-1-piperid…

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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) 4.60 12.26 -25.35 0 6 0 81 473.598 6 ↓

Analogs

16309562
16309562

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Popular Name: N-[2-(4-hydroxy-4-phenyl-1-piperidyl)-2-oxo-ethyl]-4-methyl-N-phenyl-benzenesulfonamide N-[2-(4-hydroxy-4-phenyl-1-piper…

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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) 4.17 9.56 -21.12 1 6 0 78 464.587 6 ↓

Analogs

1179092
1179092
656261
656261

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Popular Name: N-[2-(4-acetyl-4-phenyl-1-piperidyl)-2-oxo-ethyl]-4-methyl-N-phenyl-benzenesulfonamide N-[2-(4-acetyl-4-phenyl-1-piperi…

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) 3.19 12.4 -21.2 0 6 0 75 490.625 7 ↓

Parameters Provided:

ring.id = 603990
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 = 603990 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=603990&filter.purchasability=annotated

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