UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5,6-dihydroxy-8,10-dimethoxy-2-methyl-benzo[g]chromen-4-one 5,6-dihydroxy-8,10-dimethoxy-2-m…

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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) 2.63 3.67 -14.02 2 6 0 89 302.282 2 ↓
Hi High (pH 8-9.5) 2.63 4.78 -54.64 1 6 -1 92 301.274 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dihydroxy-8,10-dimethoxy-2-propyl-benzo[g]chromen-4-one 5,6-dihydroxy-8,10-dimethoxy-2-p…

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) 3.71 5.21 -13.1 2 6 0 89 330.336 4 ↓
Hi High (pH 8-9.5) 3.71 6.32 -53.54 1 6 -1 92 329.328 4 ↓

Parameters Provided:

ring.id = 40592
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 = 40592 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=40592&filter.purchasability=annotated

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