UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12402600
12402600
46084623
46084623
46084624
46084624
8856479
8856479
8955699
8955699

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S,8R,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2S)-2-methyl-5-oxo-tetrahydrofuran-2-yl]-2,3,4,7,8,9 [(3S,8R,9S,10R,13R,14S,17S)-10,1…

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) 5.89 4.57 -12.04 0 4 0 53 476.657 4 ↓

Analogs

46084623
46084623
46084624
46084624
8856479
8856479
8955699
8955699

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2S)-2-methyl-5-oxo-tetrahydrofuran-2-yl]-2,3,4,7,8,9 [(3S,8R,9S,10R,13S,14S,17S)-10,1…

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) 5.89 4.43 -12.7 0 4 0 53 476.657 4 ↓

Parameters Provided:

ring.id = 101313
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 = 101313 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=101313&filter.purchasability=annotated

Embed Link to Results