UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: (2S)-2-(4,5-dibromo-2-furyl)-2,3-dihydropyran-4-one (2S)-2-(4,5-dibromo-2-furyl)-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) 2.29 5.27 -8.78 0 3 0 39 321.952 1 ↓

Analogs

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Popular Name: (2R)-2-(4,5-dibromo-2-furyl)-2,3-dihydropyran-4-one (2R)-2-(4,5-dibromo-2-furyl)-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) 2.29 5.15 -8.83 0 3 0 39 321.952 1 ↓

Analogs

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Popular Name: (2S)-2-(5-bromo-2-furyl)-2,3-dihydropyran-4-one (2S)-2-(5-bromo-2-furyl)-2,3-dih…

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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) 1.55 4.66 -9.28 0 3 0 39 243.056 1 ↓

Analogs

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Popular Name: (2R)-2-(5-bromo-2-furyl)-2,3-dihydropyran-4-one (2R)-2-(5-bromo-2-furyl)-2,3-dih…

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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) 1.55 4.56 -9.36 0 3 0 39 243.056 1 ↓

Analogs

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Popular Name: (2S)-2-(5-nitro-2-furyl)-2,3-dihydropyran-4-one (2S)-2-(5-nitro-2-furyl)-2,3-dih…

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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) 0.70 4.74 -14.62 0 6 0 85 209.157 2 ↓

Analogs

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Popular Name: (2R)-2-(5-nitro-2-furyl)-2,3-dihydropyran-4-one (2R)-2-(5-nitro-2-furyl)-2,3-dih…

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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) 0.70 4.64 -14.69 0 6 0 85 209.157 2 ↓

Analogs

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Popular Name: (2S)-2-(5-methyl-2-furyl)-2,3-dihydropyran-4-one (2S)-2-(5-methyl-2-furyl)-2,3-di…

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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) 0.84 4.77 -9.45 0 3 0 39 178.187 1 ↓

Analogs

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Popular Name: (2R)-2-(5-methyl-2-furyl)-2,3-dihydropyran-4-one (2R)-2-(5-methyl-2-furyl)-2,3-di…

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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) 0.84 4.64 -9.5 0 3 0 39 178.187 1 ↓

Analogs

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Popular Name: (2S)-2-(5-ethyl-2-furyl)-2,3-dihydropyran-4-one (2S)-2-(5-ethyl-2-furyl)-2,3-dih…

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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) 1.41 5.55 -9.28 0 3 0 39 192.214 2 ↓

Analogs

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Popular Name: (2R)-2-(5-ethyl-2-furyl)-2,3-dihydropyran-4-one (2R)-2-(5-ethyl-2-furyl)-2,3-dih…

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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) 1.41 5.43 -9.32 0 3 0 39 192.214 2 ↓

Analogs

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Popular Name: (2S)-2-methyl-2-(5-methyl-2-furyl)-3H-pyran-4-one (2S)-2-methyl-2-(5-methyl-2-fury…

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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) 1.28 5.08 -8.94 0 3 0 39 192.214 1 ↓

Analogs

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Popular Name: (2R)-2-methyl-2-(5-methyl-2-furyl)-3H-pyran-4-one (2R)-2-methyl-2-(5-methyl-2-fury…

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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) 1.28 5.08 -10.05 0 3 0 39 192.214 1 ↓

Analogs

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Popular Name: (2R)-2-(2-furyl)-2-methyl-3H-pyran-4-one (2R)-2-(2-furyl)-2-methyl-3H-pyr…

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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) 1.06 4.28 -9.77 0 3 0 39 178.187 1 ↓

Analogs

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Popular Name: (2S)-2-(2-furyl)-2-methyl-3H-pyran-4-one (2S)-2-(2-furyl)-2-methyl-3H-pyr…

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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) 1.06 4.25 -8.83 0 3 0 39 178.187 1 ↓

Analogs

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Popular Name: (2R)-2-ethyl-2-(2-furyl)-3H-pyran-4-one (2R)-2-ethyl-2-(2-furyl)-3H-pyra…

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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) 1.56 4.73 -9.26 0 3 0 39 192.214 2 ↓

Analogs

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Popular Name: (2S)-2-ethyl-2-(2-furyl)-3H-pyran-4-one (2S)-2-ethyl-2-(2-furyl)-3H-pyra…

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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) 1.56 4.76 -9.29 0 3 0 39 192.214 2 ↓

Parameters Provided:

ring.id = 479965
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 = 479965 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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