UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12402929
12402929
1591951
1591951
1591953
1591953

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Popular Name: (3Z)-3-[(4-hydroxy-3-methoxy-phenyl)methylene]tetrahydrofuran-2-one (3Z)-3-[(4-hydroxy-3-methoxy-phe…

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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) 0.79 0.23 -13.71 1 4 0 56 220.224 2 ↓

Analogs

12402928
12402928
1591951
1591951

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Popular Name: (3Z)-3-[(3,4-dimethoxyphenyl)methylene]tetrahydrofuran-2-one (3Z)-3-[(3,4-dimethoxyphenyl)met…

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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) 1.09 2.18 -13.47 0 4 0 45 234.251 3 ↓

Analogs

1628265
1628265

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Popular Name: (3Z)-3-[(3-acetyl-4-hydroxy-phenyl)methylene]tetrahydrofuran-2-one (3Z)-3-[(3-acetyl-4-hydroxy-phen…

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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) 1.26 1.14 -16.52 1 4 0 64 232.235 2 ↓

Analogs

1646550
1646550

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Popular Name: (3Z)-3-[(5-acetyl-2-hydroxy-phenyl)methylene]tetrahydrofuran-2-one (3Z)-3-[(5-acetyl-2-hydroxy-phen…

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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) 1.08 0.43 -16.93 1 4 0 64 232.235 2 ↓

Analogs

34553088
34553088
1747666
1747666

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Popular Name: (3Z)-3-[(2-chlorophenyl)methylene]tetrahydrofuran-2-one (3Z)-3-[(2-chlorophenyl)methylen…

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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) 1.90 1.56 -8.08 0 2 0 26 208.644 1 ↓

Parameters Provided:

ring.id = 101555
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 = 101555 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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