UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20830800
20830800

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Popular Name: 5-benzyl-7-(4-methylpiperazine-1-carbonyl)-2-phenyl-pyrazolo[4,5-c]pyridin-3-one 5-benzyl-7-(4-methylpiperazine-1…

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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) 1.99 10 -33.6 0 7 0 63 427.508 4 ↓

Analogs

20830847
20830847
10698068
10698068

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Popular Name: 5-[(4-fluorophenyl)methyl]-7-(4-methylpiperazine-1-carbonyl)-2-phenyl-pyrazolo[4,5-c]pyridin-3-one 5-[(4-fluorophenyl)methyl]-7-(4-…

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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) 2.15 10.07 -36.34 0 7 0 63 445.498 4 ↓

Parameters Provided:

ring.id = 113492
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 = 113492 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=113492&filter.purchasability=annotated

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