UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11821777
11821777
39518956
39518956
39518957
39518957
45653733
45653733
45653735
45653735

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Popular Name: (3R)-N-(3,4-dimethoxyphenyl)-1-[1-(o-tolyl)-4-piperidyl]piperidin-3-amine (3R)-N-(3,4-dimethoxyphenyl)-1-[…

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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) 5.05 -0.64 -47.18 2 5 1 38 410.582 6 ↓

Analogs

39518956
39518956
39518957
39518957
45653733
45653733
45653735
45653735
11821776
11821776

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(3,4-dimethoxyphenyl)-1-[1-(o-tolyl)-4-piperidyl]piperidin-3-amine (3S)-N-(3,4-dimethoxyphenyl)-1-[…

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) 5.05 -0.82 -47.53 2 5 1 38 410.582 6 ↓

Parameters Provided:

ring.id = 54408
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 = 54408 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=54408&filter.purchasability=annotated

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