UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-[(1S,6S)-4,7-dioxabicyclo[4.1.0]heptan-1-yl]-2-[1-(ethoxyamino)propylidene]cyclohexane-1,3-dione 5-[(1S,6S)-4,7-dioxabicyclo[4.1.…

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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) 1.00 4.33 -10.62 1 6 0 77 309.362 5 ↓

Analogs

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Popular Name: 5-[(1R,6R)-4,7-dioxabicyclo[4.1.0]heptan-1-yl]-2-[1-(ethoxyamino)propylidene]cyclohexane-1,3-dione 5-[(1R,6R)-4,7-dioxabicyclo[4.1.…

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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) 1.00 4.48 -8.43 1 6 0 77 309.362 5 ↓

Analogs

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Popular Name: 2-[1-(allyloxyamino)propylidene]-5-[(1S,6S)-4,7-dioxabicyclo[4.1.0]heptan-1-yl]cyclohexane-1,3-dione 2-[1-(allyloxyamino)propylidene]…

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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) 1.26 4.91 -10.53 1 6 0 77 321.373 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(allyloxyamino)propylidene]-5-[(1R,6R)-4,7-dioxabicyclo[4.1.0]heptan-1-yl]cyclohexane-1,3-dione 2-[1-(allyloxyamino)propylidene]…

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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) 1.26 5.06 -8.39 1 6 0 77 321.373 6 ↓

Parameters Provided:

ring.id = 197918
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 = 197918 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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