UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4083692
4083692
4083693
4083693

Draw Identity 99% 90% 80% 70%

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

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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) 4.17 4.14 -13.95 0 4 0 53 414.586 3 ↓

Analogs

4083692
4083692
4083693
4083693

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S,8S,9R,10S,13S,14S,17S)-10,13-dimethyl-17-[(2R)-2-methyl-5-oxo-tetrahydrofuran-2-yl]-2,3,4,7,8,9 [(3S,8S,9R,10S,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) 4.17 4.33 -12.77 0 4 0 53 414.586 3 ↓

Analogs

4083692
4083692
4083693
4083693

Draw Identity 99% 90% 80% 70%

Popular Name: [(3R,8S,9R,10R,13S,14S,17S)-10,13-dimethyl-17-[(2R)-2-methyl-5-oxo-tetrahydrofuran-2-yl]-2,3,4,7,8,9 [(3R,8S,9R,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) 4.17 4.4 -12.93 0 4 0 53 414.586 3 ↓

Analogs

4083692
4083692
4083693
4083693

Draw Identity 99% 90% 80% 70%

Popular Name: [(3S,8S,9R,10R,13S,14S,17S)-10,13-dimethyl-17-[(2R)-2-methyl-5-oxo-tetrahydrofuran-2-yl]-2,3,4,7,8,9 [(3S,8S,9R,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) 4.17 4.2 -14.61 0 4 0 53 414.586 3 ↓

Parameters Provided:

ring.id = 66104
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 = 66104 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=66104&filter.purchasability=annotated

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