UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

896658
896658

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Popular Name: Metformin hydrochloride Metformin hydrochloride

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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
Z81020-6-O HepG2 (Hepatoblastoma Cells) (cluster #6 Of 8), Other Other 270 1.02 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) -1.13 3.38 -9.57 5 5 0 89 129.167 3 ↓
Mid Mid (pH 6-8) -1.26 2.21 -25.45 6 5 1 93 130.175 2 ↓
Lo Low (pH 4.5-6) -1.13 3.29 -32.15 6 5 1 91 130.175 3 ↓

Parameters Provided:

target.name = Z81020-6-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 'Z81020-6-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=Z81020-6-O&target.type=F10&filter.purchasability=purchasable

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