UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (5R)-5-benzyl-3-methylene-tetrahydrofuran-2-one (5R)-5-benzyl-3-methylene-tetrah…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80304-3-O NALM-6 (Pre-B-cell Line) (cluster #3 Of 3), Other Other 5400 0.53 Functional ≤ 10μM

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) 1.28 2.5 -11.3 0 2 0 26 188.226 2 ↓

Analogs

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Popular Name: (5S)-5-benzyl-3-methylene-tetrahydrofuran-2-one (5S)-5-benzyl-3-methylene-tetrah…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80304-3-O NALM-6 (Pre-B-cell Line) (cluster #3 Of 3), Other Other 5400 0.53 Functional ≤ 10μM

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) 1.28 2.5 -11.29 0 2 0 26 188.226 2 ↓

Analogs

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Popular Name: N-[(1R)-3-chloro-1-(dodecylsulfanylmethyl)-2-oxo-propyl]acetamide N-[(1R)-3-chloro-1-(dodecylsulfa…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80284-1-O MOLT-3 (T-lymphoblastic Leukemia Cells) (cluster #1 Of 3), Other Other 2300 0.34 Functional ≤ 10μM
Z80304-1-O NALM-6 (Pre-B-cell Line) (cluster #1 Of 3), Other Other 2000 0.35 Functional ≤ 10μM

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) 5.23 12.03 -11.38 1 3 0 46 363.995 16 ↓

Parameters Provided:

annotation.name = Z80304
anotation.type = F10
page.format = summary
page.num = 1
filter.purchasability = purchasable

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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'Z80304' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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