UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34686245
34686245
34686246
34686246

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Popular Name: 1,3-benzodioxol-5-yl-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]methanone 1,3-benzodioxol-5-yl-[4-[(3-fluo…

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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) 2.23 5.51 -12.01 0 6 0 51 372.396 4 ↓
Mid Mid (pH 6-8) 2.23 7.83 -56.77 1 6 1 52 373.404 4 ↓

Analogs

29654680
29654680
34935820
34935820
56909627
56909627

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Popular Name: 1,3-benzodioxol-5-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone 1,3-benzodioxol-5-yl-[4-[[4-(tri…

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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) 2.98 7.12 -9.45 0 5 0 42 392.377 4 ↓

Parameters Provided:

ring.id = 130483
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 = 130483 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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