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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,5aR,8aR,9S)-5-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydroisobenzofuro[5,6-f][1,3]benzodioxo (5R,5aR,8aR,9S)-5-(3,4,5-trimeth…

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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) 3.15 7.02 -15.74 0 7 0 79 409.438 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,5aS,8aR,9S)-5-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydroisobenzofuro[5,6-f][1,3]benzodioxo (5R,5aS,8aR,9S)-5-(3,4,5-trimeth…

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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) 3.15 7.36 -16.2 0 7 0 79 409.438 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,5aR,8aS,9S)-5-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydroisobenzofuro[5,6-f][1,3]benzodioxo (5R,5aR,8aS,9S)-5-(3,4,5-trimeth…

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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) 2.62 7.43 -50.44 0 8 -1 96 427.429 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,5aS,8aS,9S)-5-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydroisobenzofuro[5,6-f][1,3]benzodioxo (5R,5aS,8aS,9S)-5-(3,4,5-trimeth…

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) 2.62 7.69 -49.65 0 8 -1 96 427.429 5 ↓

Parameters Provided:

ring.id = 365992
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 = 365992 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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