UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: benzyl-oxo-[4-(2-pyridyl)piperazine-1-carbonyl]BLAHone benzyl-oxo-[4-(2-pyridyl)piperaz…

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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) 3.65 12.26 -67.56 1 7 1 75 523.638 4 ↓
Mid Mid (pH 6-8) 3.65 11.99 -33.42 0 7 0 74 522.63 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzyl-oxo-[4-(2-pyridyl)piperazine-1-carbonyl]BLAHone benzyl-oxo-[4-(2-pyridyl)piperaz…

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) 3.65 12.28 -66.29 1 7 1 75 523.638 4 ↓
Mid Mid (pH 6-8) 3.65 12.01 -36.73 0 7 0 74 522.63 4 ↓

Parameters Provided:

ring.id = 70265
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 = 70265 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=70265&filter.purchasability=annotated

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