UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-nitro-1,5-diphenyl-3-(p-tolyl)benzene 2-nitro-1,5-diphenyl-3-(p-tolyl)…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HPRT-3-E Hypoxanthine-guanine Phosphoribosyltransferase (cluster #3 Of 3), Eukaryotic Eukaryotes 2000 0.28 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) 7.59 3.72 -9.77 0 3 0 45 365.432 4 ↓

Analogs

3112813
3112813

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Popular Name: 2-(2,4,7-trinitrofluoren-9-ylidene)propanedinitrile 2-(2,4,7-trinitrofluoren-9-ylide…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HPRT-3-E Hypoxanthine-guanine Phosphoribosyltransferase (cluster #3 Of 3), Eukaryotic Eukaryotes 5400 0.27 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) 3.33 11.43 -9.3 0 11 0 185 363.245 3 ↓

Parameters Provided:

target.name = HPRT-3-E
target.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 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 'HPRT-3-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=HPRT-3-E&target.type=B10&filter.purchasability=purchasable

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