UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

16952677
16952677
16953164
16953164
22057762
22057762
33689809
33689809
33689810
33689810

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Popular Name: CASTANOSPERMINE CASTANOSPERMINE

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Vendors

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50676-2-O Dengue Virus (cluster #2 Of 2), Other Other 1000 0.65 Functional ≤ 10μM
Z80183-1-O JM1 (B-cell Leukemia Cells) (cluster #1 Of 1), Other Other 8800 0.54 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) -2.04 -6.53 -35 5 5 1 85 190.219 0 ↓
Hi High (pH 8-9.5) -2.04 -6.1 -45.15 4 5 0 88 189.211 0 ↓

Parameters Provided:

annotation.name = Z80183
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 'Z80183' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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