UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12442608
12442608
12442610
12442610

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Popular Name: (2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-8-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-7,9-dih (2Z)-2-[(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) 3.14 4.53 -19.25 0 8 0 95 503.96 2 ↓

Analogs

12442608
12442608
12442610
12442610

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-8-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-7,9-dih (2Z)-2-[(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) 3.14 4.85 -19.42 0 8 0 95 503.96 2 ↓

Analogs

12442592
12442592
12442594
12442594

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Popular Name: (2E)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-8-[(3R)-1,1-dioxothiolan-3-yl]-7,9-dihydrofuro[ (2E)-2-[(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) 2.76 3.74 -19.44 0 8 0 95 489.933 2 ↓

Analogs

12442592
12442592
12442594
12442594

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-8-[(3S)-1,1-dioxothiolan-3-yl]-7,9-dihydrofuro[ (2E)-2-[(6-chloro-4H-1,3-benzodi…

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) 2.76 4.06 -19.69 0 8 0 95 489.933 2 ↓

Parameters Provided:

ring.id = 561770
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 = 561770 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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