UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: Sulforaphane Sulforaphane

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Vendors

And 7 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80125-3-O DU-145 (Prostate Carcinoma) (cluster #3 Of 9), Other Other 10000 0.70 Functional ≤ 10μM
Z81020-8-O HepG2 (Hepatoblastoma Cells) (cluster #8 Of 8), Other Other 4000 0.76 Functional ≤ 10μM
Z81072-9-O Jurkat (Acute Leukemic T-cells) (cluster #9 Of 10), Other Other 3800 0.76 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) 1.15 2.03 -12.09 0 2 0 29 177.294 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Sulforaphane Sulforaphane

Find On: PubMed — Wikipedia — Google

Vendors

And 10 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80125-3-O DU-145 (Prostate Carcinoma) (cluster #3 Of 9), Other Other 10000 0.70 Functional ≤ 10μM
Z81020-8-O HepG2 (Hepatoblastoma Cells) (cluster #8 Of 8), Other Other 4000 0.76 Functional ≤ 10μM
Z81072-9-O Jurkat (Acute Leukemic T-cells) (cluster #9 Of 10), Other Other 3800 0.76 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) 1.15 2.03 -12.17 0 2 0 29 177.294 5 ↓

Parameters Provided:

target.name = Z81020-8-O
target.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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'Z81020-8-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=Z81020-8-O&target.type=F10&filter.purchasability=purchasable

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