UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5178963
5178963

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Popular Name: 1,2-Dinitroglycerin 1,2-Dinitroglycerin

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z102306-3-O Aorta (cluster #3 Of 6), Other Other 1700 0.67 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) 0.93 1.06 -8.53 1 9 0 130 182.088 6 ↓

Analogs

5178930
5178930

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Popular Name: 1,2-Dinitroglycerin 1,2-Dinitroglycerin

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z102306-3-O Aorta (cluster #3 Of 6), Other Other 1700 0.67 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) 0.93 1.06 -8.53 1 9 0 130 182.088 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-nitrooxyhexanoic 6-nitrooxyhexanoic

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z102306-3-O Aorta (cluster #3 Of 6), Other Other 8300 0.59 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) 1.74 6.69 -43.42 0 6 -1 95 176.148 7 ↓
Lo Low (pH 4.5-6) 1.74 4.72 -7.9 1 6 0 92 177.156 7 ↓

Parameters Provided:

target.name = Z102306-3-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 'Z102306-3-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=Z102306-3-O&target.type=F10&filter.purchasability=purchasable

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