UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3S)-3-[(7S,8S)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[5,6-g]chromen-10-yl]butanoic (3S)-3-[(7S,8S)-5-hydroxy-2,2,7,…

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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) 1.48 7.75 -53.77 1 6 -1 96 359.398 3 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.79 8.76 -10.45 1 6 0 82 374.433 4 ↓

Analogs

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Popular Name: methyl methyl

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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) 1.79 8.81 -10 1 6 0 82 374.433 4 ↓

Analogs

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Popular Name: (8R)-10-[(3-acetyl-2,4,6-trihydroxy-5-methyl-phenyl)methyl]-5-hydroxy-2,2-dimethyl-8-phenyl-7,8-dihy (8R)-10-[(3-acetyl-2,4,6-trihydr…

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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) 5.36 9.02 -13.82 4 8 0 134 516.546 4 ↓

Analogs

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Popular Name: (8S)-10-[(3-acetyl-2,4,6-trihydroxy-5-methyl-phenyl)methyl]-5-hydroxy-2,2-dimethyl-8-phenyl-7,8-dihy (8S)-10-[(3-acetyl-2,4,6-trihydr…

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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) 5.36 8.9 -13.55 4 8 0 134 516.546 4 ↓

Analogs

14557640
14557640
35015661
35015661
35015664
35015664
1588843
1588843

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Popular Name: Isoapetalic acid Isoapetalic acid

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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) 2.38 9.33 -57.83 1 6 -1 96 387.452 5 ↓

Analogs

1588843
1588843

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Popular Name: Isoapetalic acid Isoapetalic acid

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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) 2.38 9.14 -52.59 1 6 -1 96 387.452 5 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.69 10.22 -9.99 1 6 0 82 402.487 6 ↓

Analogs

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Popular Name: (3R)-3-[(7R,8S)-5-acetoxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[5,6-g]chromen-10-yl]hexanoic (3R)-3-[(7R,8S)-5-acetoxy-2,2,7,…

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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) 2.15 12.72 -58.06 0 7 -1 102 429.489 7 ↓

Analogs

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Popular Name: (3S)-3-[(7R,8R)-5-acetoxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[5,6-g]chromen-10-yl]hexanoic (3S)-3-[(7R,8R)-5-acetoxy-2,2,7,…

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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) 2.15 12.8 -65.57 0 7 -1 102 429.489 7 ↓

Analogs

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Popular Name: (3R)-3-[(7R,8R)-5-acetoxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[5,6-g]chromen-10-yl]hexanoic (3R)-3-[(7R,8R)-5-acetoxy-2,2,7,…

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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) 2.15 12.62 -63.06 0 7 -1 102 429.489 7 ↓

Analogs

15122160
15122160
15122161
15122161

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Popular Name: (3S)-5-hydroxy-3-(6-hydroxy-1,3-benzodioxol-5-yl)-8,8-dimethyl-2,3-dihydropyrano[5,6-g]chromen-4-one (3S)-5-hydroxy-3-(6-hydroxy-1,3-…

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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) 3.62 3.99 -14.65 2 7 0 94 382.368 1 ↓

Analogs

14559514
14559514
15122163
15122163
15122165
15122165

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Popular Name: (3S,8S)-3-(2,3-dihydroxy-4-methoxy-phenyl)-5-hydroxy-8-methyl-8-(4-methylpent-3-enyl)-2,3-dihydropyr (3S,8S)-3-(2,3-dihydroxy-4-metho…

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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) 5.17 6.57 -12.22 3 7 0 105 452.503 5 ↓

Analogs

15122163
15122163
15122165
15122165
14559508
14559508

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Popular Name: (3S,8R)-3-(2,3-dihydroxy-4-methoxy-phenyl)-5-hydroxy-8-methyl-8-(4-methylpent-3-enyl)-2,3-dihydropyr (3S,8R)-3-(2,3-dihydroxy-4-metho…

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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) 5.17 6.54 -12.25 3 7 0 105 452.503 5 ↓

Parameters Provided:

ring.id = 136082
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 = 136082 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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