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Popular Name: 1-Methyl-3-Nitro-1-NitroSOGUANIDINE 1-Methyl-3-Nitro-1-NitroSOGUANIDINE

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80414-2-O Raji (B-lymphoblastic Cells) (cluster #2 Of 3), Other Other 2000 0.80 Functional ≤ 10μM
Z80870-1-O GM892A Cell Line (cluster #1 Of 2), Other Other 200 0.94 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) -0.78 1.9 -32.71 1 8 -1 114 146.086 3 ↓
Lo Low (pH 4.5-6) -0.65 2.39 -7.18 2 8 0 114 147.094 4 ↓

Parameters Provided:

target.name = Z80870-1-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 'Z80870-1-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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