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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: [(1S,2S,3S,4S,4aS,11bR)-2,3,4-triacetoxy-1,11b-dihydroxy-6-oxo-1,2,3,4,4a,5-hexahydro-[1,3]dioxolo[4 [(1S,2S,3S,4S,4aS,11bR)-2,3,4-tr…

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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) -0.93 4.84 -22.66 3 14 0 193 509.42 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: O1-[(1S,2R,3S,4S,4aS,11bR)-1,2,3,4-tetraacetoxy-7-hydroxy-6-oxo-1,2,3,4,4a,5-hexahydro-[1,3]dioxolo[ O1-[(1S,2R,3S,4S,4aS,11bR)-1,2,3…

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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) 0.36 8.43 -21.85 2 17 0 226 595.466 12 ↓

Analogs

38427191
38427191

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2S,3S,4R,4aR,11bR)-1,2,3,7-tetrahydroxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]ph [(1S,2S,3S,4R,4aR,11bR)-1,2,3,7-…

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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) -2.47 -6.61 -159.1 5 12 -2 201 403.236 2 ↓
Mid Mid (pH 6-8) -2.47 -7.75 -61.21 6 12 -1 198 404.244 2 ↓

Analogs

38427191
38427191

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2S,3S,4R,4aS,11bR)-1,2,3,7-tetrahydroxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]ph [(1S,2S,3S,4R,4aS,11bR)-1,2,3,7-…

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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) -2.47 -6.83 -144.04 5 12 -2 201 403.236 2 ↓
Mid Mid (pH 6-8) -2.47 -7.99 -51.87 6 12 -1 198 404.244 2 ↓

Analogs

38427191
38427191

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2S,3S,4R,4aR,11bS)-1,2,3,7-tetrahydroxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]ph [(1S,2S,3S,4R,4aR,11bS)-1,2,3,7-…

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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) -2.47 -5.19 -143.6 5 12 -2 201 403.236 2 ↓
Mid Mid (pH 6-8) -2.47 -6.35 -52.37 6 12 -1 198 404.244 2 ↓

Analogs

38427191
38427191

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,2S,3S,4R,4aS,11bS)-1,2,3,7-tetrahydroxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]ph [(1S,2S,3S,4R,4aS,11bS)-1,2,3,7-…

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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) -2.47 -6.25 -150.52 5 12 -2 201 403.236 2 ↓
Mid Mid (pH 6-8) -2.47 -7.42 -55.05 6 12 -1 198 404.244 2 ↓

Parameters Provided:

ring.id = 4073
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 = 4073 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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