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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
BLA1-3-B Beta-lactamase L1 (cluster #3 Of 3), Bacterial Bacteria 7800 0.60 Binding ≤ 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) -0.02 3.85 -113.1 0 5 -2 93 165.104 2
Lo Low (pH 4.5-6) -0.02 4.21 -51.4 1 5 -1 94 166.112 2

Parameters Provided:

annotation.name = BLA1_STEMA
anotation.type = B10
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 'BLA1\\_STEMA' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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