UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12023028
12023028
41686561
41686561
41686563
41686563
41686569
41686569
41686571
41686571

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Popular Name: N-[[(2S)-1-methyl-2-piperidyl]methyl]-2-(2,6,6-trimethyl-4-oxo-1-propyl-5,7-dihydroindol-3-yl)acetam N-[[(2S)-1-methyl-2-piperidyl]me…

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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) 3.32 1.59 -40.79 2 5 1 56 388.576 6 ↓

Analogs

41686561
41686561
41686563
41686563
41686569
41686569
41686571
41686571
41707081
41707081

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-1-methyl-2-piperidyl]methyl]-2-(2,6,6-trimethyl-4-oxo-1-propyl-5,7-dihydroindol-3-yl)acetam N-[[(2R)-1-methyl-2-piperidyl]me…

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) 3.32 1.56 -41.27 2 5 1 56 388.576 6 ↓

Parameters Provided:

ring.id = 76276
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 = 76276 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=76276&filter.purchasability=annotated

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