UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

21886767
21886767
33025079
33025079
21886757
21886757
21886714
21886714

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Popular Name: N-[(4-bromophenyl)methyl]-1-[2-(p-tolyl)pyrimidin-4-yl]piperidine-4-carboxamide N-[(4-bromophenyl)methyl]-1-[2-(…

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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) 4.89 12.75 -14.6 1 5 0 58 465.395 5 ↓
Mid Mid (pH 6-8) 4.89 13.1 -38.69 2 5 1 59 466.403 5 ↓

Analogs

21886767
21886767
33025079
33025079
21886757
21886757
21886714
21886714
21886719
21886719

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Popular Name: N-[(4-bromophenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide N-[(4-bromophenyl)methyl]-1-(2-p…

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) 4.44 12.07 -14.6 1 5 0 58 451.368 5 ↓
Lo Low (pH 4.5-6) 4.44 12.42 -38.76 2 5 1 59 452.376 5 ↓

Parameters Provided:

ring.id = 18363
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 = 18363 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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