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Analogs

1571100
1571100

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Popular Name: EINECS 230-888-7; Guanidine, N,N'''-1,6-hexanediylbis-, dihydrochloride; Guanidine, hexanedi-, dihydrochloride; Hexamethylenediguanidine dihydrochloride; Hexanediguanidine dihydrochloride; LS-73701; N,N'''-1,6-Hexanediylbisguanidine dihydrochloride; NSC 3 EINECS 230-888-7; Guanidine, N,N…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50426-5-O Plasmodium Falciparum (isolate K1 / Thailand) (cluster #5 Of 9), Other Other 445 0.64 Functional ≤ 10μM
Z50725-5-O Trypanosoma Brucei Rhodesiense (cluster #5 Of 7), Other Other 8050 0.51 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) -0.41 2.46 -70.53 10 6 2 127 202.306 9 ↓

Parameters Provided:

target.name = Z50725-5-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 'Z50725-5-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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