UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

21886717
21886717
21886725
21886725
21886719
21886719
21886741
21886741
21886733
21886733

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Popular Name: N-cyclohexyl-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide N-cyclohexyl-1-[2-(4-fluoropheny…

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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) 4.30 11.19 -14.09 1 5 0 58 382.483 4 ↓
Lo Low (pH 4.5-6) 4.30 11.55 -42.27 2 5 1 59 383.491 4 ↓

Analogs

21886767
21886767
21886714
21886714

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

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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) 4.59 11.81 -15.31 1 5 0 58 378.52 4 ↓
Mid Mid (pH 6-8) 4.59 12.17 -38.87 2 5 1 59 379.528 4 ↓

Parameters Provided:

ring.id = 18359
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 = 18359 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=18359&filter.purchasability=annotated

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