UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39677028
39677028
39677029
39677029
39689454
39689454
39689455
39689455
39691220
39691220

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Popular Name: 5-ethyl-2-methyl-N-[[(3R)-1-methyl-3-piperidyl]methyl]-N-phenethyl-pyrazole-3-carboxamide 5-ethyl-2-methyl-N-[[(3R)-1-meth…

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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 1.97 -38.41 1 5 1 43 369.533 7 ↓

Analogs

39677028
39677028
39677029
39677029

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-2-methyl-N-[[(3S)-1-methyl-3-piperidyl]methyl]-N-phenethyl-pyrazole-3-carboxamide 5-ethyl-2-methyl-N-[[(3S)-1-meth…

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 2.22 -46.78 1 5 1 43 369.533 7 ↓

Parameters Provided:

ring.id = 45893
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 = 45893 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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