UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[4-(m-tolylmethyl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone 2-[4-(m-tolylmethyl)piperazin-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) 3.00 10.96 -40.6 1 5 1 31 393.555 5 ↓
Hi High (pH 8-9.5) 3.00 7.66 -9.99 0 5 0 30 392.547 5 ↓

Analogs

12593628
12593628

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Popular Name: 2-(4-benzylpiperazin-1-yl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone 2-(4-benzylpiperazin-1-yl)-1-[4-…

Find On: PubMed — Wikipedia — Google

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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) 2.31 7.94 -40.76 2 6 1 51 395.527 5 ↓
Mid Mid (pH 6-8) 2.31 5.67 -10.33 1 6 0 50 394.519 5 ↓

Parameters Provided:

ring.id = 126113
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 = 126113 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=126113&filter.purchasability=annotated

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