UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: INN) INN)

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYSY-1-E Thymidylate Synthase (cluster #1 Of 3), Eukaryotic Eukaryotes 1 0.32 Binding ≤ 10μM
Z80193-2-O L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other Other 24 0.27 Functional ≤ 10μM
Z80200-1-O L1210 (RD1694) (cluster #1 Of 1), Other Other 76 0.26 Functional ≤ 10μM
Z81133-1-O L1210 (1565) (cluster #1 Of 1), Other Other 1300 0.21 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) -0.36 7.79 -128.62 2 12 -2 171 530.52 10 ↓
Hi High (pH 8-9.5) 0.10 6.78 -185.31 1 12 -3 174 529.512 10 ↓
Lo Low (pH 4.5-6) -0.36 7.92 -80.53 3 12 -1 173 531.528 10 ↓

Parameters Provided:

annotation.name = Z80200
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 'Z80200' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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