UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35892384
35892384
35892386
35892386

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Popular Name: 1-[4-(cyclopropylBLAHyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone 1-[4-(cyclopropylBLAHyl)piperazi…

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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) 4.73 14.24 -14.45 0 6 0 59 476.646 5 ↓

Analogs

35892427
35892427
35892429
35892429

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Popular Name: 1-[4-(cyclopropylBLAHyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone 1-[4-(cyclopropylBLAHyl)piperazi…

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) 4.84 15.01 -13.93 0 5 0 49 464.61 4 ↓

Parameters Provided:

ring.id = 39835
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 = 39835 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=39835&filter.purchasability=annotated

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