UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11990688
11990688
11990689
11990689
31830552
31830552
36094437
36094437
36371729
36371729

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,8R,9R,10R,13R,14R,16Z)-10,13-dimethyl-16-[(5-methyl-2-furyl)methylene]-2,3,4,5,6,7,8,9,11,12,14, (5S,8R,9R,10R,13R,14R,16Z)-10,13…

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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) 6.13 3.91 -8.44 0 2 0 30 366.545 1 ↓

Analogs

11990689
11990689
31830552
31830552
36094437
36094437
36371614
36371614
36371615
36371615

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,8S,9R,10R,13R,14R,16Z)-10,13-dimethyl-16-[(5-methyl-2-furyl)methylene]-2,3,4,5,6,7,8,9,11,12,14, (5S,8S,9R,10R,13R,14R,16Z)-10,13…

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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) 6.13 3.9 -8.51 0 2 0 30 366.545 1 ↓

Analogs

31830552
31830552
36094437
36094437
36371614
36371614
36371615
36371615
36371616
36371616

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,8S,9R,10R,13R,14S,16Z)-10,13-dimethyl-16-[(5-methyl-2-furyl)methylene]-2,3,4,5,6,7,8,9,11,12,14, (5S,8S,9R,10R,13R,14S,16Z)-10,13…

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) 6.13 3.95 -7.85 0 2 0 30 366.545 1 ↓

Parameters Provided:

ring.id = 66101
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 = 66101 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=66101&filter.purchasability=annotated

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