UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12089841
12089841

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Popular Name: (4-ethylphenyl)-(1-methyl-4-piperidyl)BLAHone (4-ethylphenyl)-(1-methyl-4-pipe…

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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) 3.43 12.26 -81.08 2 4 2 29 369.553 3 ↓
Hi High (pH 8-9.5) 3.43 9.91 -38.59 1 4 1 28 368.545 3 ↓

Analogs

12455531
12455531

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Popular Name: (1-methyl-4-piperidyl)-[2-(trifluoromethyl)phenyl]BLAHone (1-methyl-4-piperidyl)-[2-(trifl…

Find On: PubMed — Wikipedia — Google

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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) 3.37 2.72 -80.2 2 4 2 29 409.496 3 ↓

Parameters Provided:

ring.id = 22994
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 = 22994 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=22994&filter.purchasability=annotated

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