UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39120504
39120504

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q72547-4-V Human Immunodeficiency Virus Type 1 Reverse Transcriptase (cluster #4 Of 6), Viral Viruses 6900 0.36 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) 2.65 2.82 -11.39 3 5 0 87 274.272 5
Hi High (pH 8-9.5) 2.65 3.73 -43.27 2 5 -1 90 273.264 5

Parameters Provided:

target.name = Q72547-4-V
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 'Q72547-4-V' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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