UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,4bR,5R,6aR,8S,10R,10aR,10bS,12aR)-8,10-diacetoxy-1-(3-furyl)-4b,7,7,10a,12a-pentamethyl-3-oxo-1 [(1R,4bR,5R,6aR,8S,10R,10aR,10bS…

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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) 5.61 15.69 -20.77 0 9 0 118 570.679 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,4bR,5R,6aR,8S,10S,10aR,10bS,12aR)-8,10-diacetoxy-1-(3-furyl)-4b,7,7,10a,12a-pentamethyl-3-oxo-1 [(1R,4bR,5R,6aR,8S,10S,10aR,10bS…

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) 5.61 15.39 -20.71 0 9 0 118 570.679 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,4bR,5R,6aR,8R,10R,10aR,10bS,12aR)-8,10-diacetoxy-1-(3-furyl)-4b,7,7,10a,12a-pentamethyl-3-oxo-1 [(1R,4bR,5R,6aR,8R,10R,10aR,10bS…

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) 5.61 15.44 -19.98 0 9 0 118 570.679 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R,4bR,5R,6aR,8R,10S,10aR,10bS,12aR)-8,10-diacetoxy-1-(3-furyl)-4b,7,7,10a,12a-pentamethyl-3-oxo-1 [(1R,4bR,5R,6aR,8R,10S,10aR,10bS…

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) 5.61 15.36 -22.56 0 9 0 118 570.679 7 ↓

Parameters Provided:

ring.id = 369766
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 = 369766 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=369766&filter.purchasability=annotated

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