UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: DEACETOXY(7)-7-OXOKHIVORINIC ACID DEACETOXY(7)-7-OXOKHIVORINIC ACID

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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) 2.86 11.13 -59.92 0 10 -1 149 519.567 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: DEACETOXY(7)-7-OXOKHIVORINIC ACID DEACETOXY(7)-7-OXOKHIVORINIC ACID

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.86 11.6 -57.96 0 10 -1 149 519.567 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: DEACETOXY(7)-7-OXOKHIVORINIC ACID DEACETOXY(7)-7-OXOKHIVORINIC ACID

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.86 11.45 -58.62 0 10 -1 149 519.567 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: DEACETOXY(7)-7-OXOKHIVORINIC ACID DEACETOXY(7)-7-OXOKHIVORINIC ACID

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.86 11.75 -57.99 0 10 -1 149 519.567 5 ↓

Parameters Provided:

ring.id = 213353
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 213353 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=213353&filter.purchasability=annotated

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