UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (7Z)-7-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-3-[2-(4-fluorophenyl)ethyl]-9-methyl-2,4-dihydr (7Z)-7-[(6-chloro-4H-1,3-benzodi…

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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) 5.59 10.84 -11.81 0 6 0 61 507.945 4 ↓
Lo Low (pH 4.5-6) 5.59 13.71 -59.6 1 6 1 62 508.953 4 ↓

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Popular Name: (7Z)-7-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-3-[2-(4-methoxyphenyl)ethyl]-9-methyl-2,4-dihyd (7Z)-7-[(6-chloro-4H-1,3-benzodi…

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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) 5.48 10.07 -12.03 0 7 0 70 519.981 5 ↓
Mid Mid (pH 6-8) 5.48 12.94 -56.98 1 7 1 72 520.989 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-3-[2-(2-methoxyphenyl)ethyl]-9-methyl-2,4-dihyd (7Z)-7-[(6-chloro-4H-1,3-benzodi…

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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) 5.43 10.13 -11.62 0 7 0 70 519.981 5 ↓
Mid Mid (pH 6-8) 5.43 13.01 -51.07 1 7 1 72 520.989 5 ↓

Parameters Provided:

ring.id = 551036
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 = 551036 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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