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Popular Name: 2,3-dihydroxy-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one; 2-hydroxy-3-propan-2-yl-cyclohepta-2,4,6-trien-1-one; 2-hydroxy-5-propan-2-yl-cyclohepta-2,4,6-trien-1-one; 2-hydroxy-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one; nsc73300 2,3-dihydroxy-6-propan-2-yl-cycl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
RNH1-1-E Ribonuclease H1 (cluster #1 Of 2), Eukaryotic Eukaryotes 600 0.67 Binding ≤ 10μM
Q06347-1-V Reverse Transcriptase (cluster #1 Of 1), Viral Viruses 250 0.71 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) 1.58 3.83 -46.25 1 3 -1 60 179.195 1 ↓
Ref Reference (pH 7) 1.58 3.75 -48.81 1 3 -1 60 179.195 1 ↓
Hi High (pH 8-9.5) 1.58 4.63 -141.94 0 3 -2 63 178.187 1 ↓

Parameters Provided:

annotation.name = Q06347_9HIV2
anotation.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 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 'Q06347\\_9HIV2' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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