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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

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Popular Name: (8S)-5-hydroxy-8-isopropenyl-6-(3-methylbutanoyl)-4-phenyl-8,9-dihydropyrano[6,5-e]benzofuran-2-one (8S)-5-hydroxy-8-isopropenyl-6-(…

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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) 5.73 12.95 -13.26 1 5 0 77 404.462 5 ↓

Analogs

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Popular Name: (8R)-5-hydroxy-8-isopropenyl-6-(3-methylbutanoyl)-4-phenyl-8,9-dihydropyrano[6,5-e]benzofuran-2-one (8R)-5-hydroxy-8-isopropenyl-6-(…

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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) 5.73 12.82 -12.91 1 5 0 77 404.462 5 ↓

Analogs

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Popular Name: (8S,9R)-5-hydroxy-8-(1-hydroxy-1-methyl-ethyl)-9-methoxy-6-(3-methylbutanoyl)-4-phenyl-8,9-dihydropy (8S,9R)-5-hydroxy-8-(1-hydroxy-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) 4.48 10.5 -13.42 2 7 0 106 452.503 6 ↓

Analogs

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Popular Name: (8R,9R)-5-hydroxy-8-(1-hydroxy-1-methyl-ethyl)-9-methoxy-6-(3-methylbutanoyl)-4-phenyl-8,9-dihydropy (8R,9R)-5-hydroxy-8-(1-hydroxy-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) 4.48 8.93 -14.7 2 7 0 106 452.503 6 ↓

Analogs

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Popular Name: (8S,9S)-5-hydroxy-8-(1-hydroxy-1-methyl-ethyl)-9-methoxy-6-(3-methylbutanoyl)-4-phenyl-8,9-dihydropy (8S,9S)-5-hydroxy-8-(1-hydroxy-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) 4.48 9.02 -15.09 2 7 0 106 452.503 6 ↓

Analogs

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Popular Name: (8R,9S)-5-hydroxy-8-(1-hydroxy-1-methyl-ethyl)-9-methoxy-6-(3-methylbutanoyl)-4-phenyl-8,9-dihydropy (8R,9S)-5-hydroxy-8-(1-hydroxy-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) 4.48 10.8 -14.97 2 7 0 106 452.503 6 ↓

Analogs

14556220
14556220

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Popular Name: (8R,9R)-8-benzyl-5,8,9-trihydroxy-6-methyl-4-phenyl-9H-pyrano[6,5-e]benzofuran-2-one (8R,9R)-8-benzyl-5,8,9-trihydrox…

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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) 4.05 7.13 -11.27 3 6 0 100 416.429 3 ↓

Analogs

14556218
14556218

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Popular Name: (8R,9S)-8-benzyl-5,8,9-trihydroxy-6-methyl-4-phenyl-9H-pyrano[6,5-e]benzofuran-2-one (8R,9S)-8-benzyl-5,8,9-trihydrox…

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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) 4.05 7.56 -11.46 3 6 0 100 416.429 3 ↓

Analogs

38562270
38562270
14616145
14616145

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Popular Name: [(1S)-1-[(8R)-5-hydroxy-8-(1-hydroxy-1-methyl-ethyl)-6-[(2S)-2-methylbutanoyl]-2-oxo-8,9-dihydrofuro [(1S)-1-[(8R)-5-hydroxy-8-(1-hyd…

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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) 3.80 8.18 -12.41 2 8 0 123 446.496 8 ↓
Hi High (pH 8-9.5) 3.80 9.31 -43.7 1 8 -1 126 445.488 8 ↓

Parameters Provided:

ring.id = 148620
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 = 148620 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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