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Analogs

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Popular Name: (3S)-3-bromo-3,4,4-trimethyl-1,2-dioxido-diazete-1,2-diium (3S)-3-bromo-3,4,4-trimethyl-1,2…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50587-7-O Homo Sapiens (cluster #7 Of 9), Other Other 10000 0.70 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) 1.93 0.71 -18.85 0 4 0 58 209.043 0 ↓

Analogs

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Popular Name: (3R)-3-bromo-3,4,4-trimethyl-1,2-dioxido-diazete-1,2-diium (3R)-3-bromo-3,4,4-trimethyl-1,2…

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50587-7-O Homo Sapiens (cluster #7 Of 9), Other Other 10000 0.70 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) 1.93 0.71 -18.86 0 4 0 58 209.043 0 ↓

Analogs

42187696
42187696
52291520
52291520
52291523
52291523
52291525
52291525
52291527
52291527

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Popular Name: N-[(1S)-1-cyclohexylethyl]quinazolin-4-amine N-[(1S)-1-cyclohexylethyl]quinaz…

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50587-7-O Homo Sapiens (cluster #7 Of 9), Other Other 81 0.52 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) 4.14 9.46 -8.25 1 3 0 38 255.365 3 ↓
Mid Mid (pH 6-8) 4.14 9.9 -29.34 2 3 1 39 256.373 3 ↓

Parameters Provided:

target.name = Z50587-7-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 'Z50587-7-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=Z50587-7-O&target.type=F10&filter.purchasability=purchasable

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