UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12208796
12208796
39636297
39636297
39636298
39636298
39686534
39686534
39686535
39686535

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Popular Name: (3R)-1-[2-(4-chlorophenyl)ethyl]-N-[3-(2-methoxyphenyl)propyl]-6-oxo-piperidine-3-carboxamide (3R)-1-[2-(4-chlorophenyl)ethyl]…

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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) 4.36 11.06 -13.83 1 5 0 59 428.96 9 ↓

Analogs

39636297
39636297
39636298
39636298
39686534
39686534
39686535
39686535
39686536
39686536

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[2-(4-chlorophenyl)ethyl]-N-[3-(2-methoxyphenyl)propyl]-6-oxo-piperidine-3-carboxamide (3S)-1-[2-(4-chlorophenyl)ethyl]…

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) 4.36 11.05 -13.53 1 5 0 59 428.96 9 ↓

Parameters Provided:

ring.id = 87584
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 = 87584 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=87584&filter.purchasability=annotated

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