UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14246566
14246566

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Popular Name: 5-cyclopropyl-N-[(4R)-1'-methylspiro[chroman-2,4'-piperidine]-4-yl]-2-phenyl-pyrazole-3-carboxamide 5-cyclopropyl-N-[(4R)-1'-methyls…

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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) 2.99 12.98 -46.41 2 6 1 61 443.571 4 ↓

Analogs

14246565
14246565

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Popular Name: 5-cyclopropyl-N-[(4S)-1'-methylspiro[chroman-2,4'-piperidine]-4-yl]-2-phenyl-pyrazole-3-carboxamide 5-cyclopropyl-N-[(4S)-1'-methyls…

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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) 2.99 12.43 -48.56 2 6 1 61 443.571 4 ↓

Parameters Provided:

ring.id = 239366
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 = 239366 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=239366&filter.purchasability=annotated

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