UCSF
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Popular Name: (2S)-2-(5-ethyl-2-furyl)tetrahydropyran-4-one (2S)-2-(5-ethyl-2-furyl)tetrahyd…

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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) 1.50 5.25 -7 0 3 0 39 194.23 2 ↓

Analogs

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Popular Name: (2R)-2-(5-ethyl-2-furyl)tetrahydropyran-4-one (2R)-2-(5-ethyl-2-furyl)tetrahyd…

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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) 1.50 5.12 -7.02 0 3 0 39 194.23 2 ↓

Analogs

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Popular Name: (2S)-2-(5-methyl-2-furyl)tetrahydropyran-4-one (2S)-2-(5-methyl-2-furyl)tetrahy…

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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 4.47 -7.23 0 3 0 39 180.203 1 ↓

Analogs

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Popular Name: (2R)-2-(5-methyl-2-furyl)tetrahydropyran-4-one (2R)-2-(5-methyl-2-furyl)tetrahy…

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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 4.34 -7.22 0 3 0 39 180.203 1 ↓

Analogs

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Popular Name: (2S)-2-(2-furyl)tetrahydropyran-4-one (2S)-2-(2-furyl)tetrahydropyran-…

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Activity (Go SEA)

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) 0.71 3.64 -6.99 0 3 0 39 166.176 1 ↓

Analogs

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Popular Name: (2R)-2-(2-furyl)tetrahydropyran-4-one (2R)-2-(2-furyl)tetrahydropyran-…

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Activity (Go SEA)

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) 0.71 3.53 -6.99 0 3 0 39 166.176 1 ↓

Analogs

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Popular Name: (2R)-2-(2-furyl)-2-methyl-tetrahydropyran-4-one (2R)-2-(2-furyl)-2-methyl-tetrah…

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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) 1.16 3.93 -6.52 0 3 0 39 180.203 1 ↓

Analogs

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Popular Name: (2S)-2-(2-furyl)-2-methyl-tetrahydropyran-4-one (2S)-2-(2-furyl)-2-methyl-tetrah…

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Activity (Go SEA)

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) 1.16 3.86 -7.31 0 3 0 39 180.203 1 ↓

Analogs

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Popular Name: (2S)-2-methyl-2-(5-methyl-2-furyl)tetrahydropyran-4-one (2S)-2-methyl-2-(5-methyl-2-fury…

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Activity (Go SEA)

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) 1.38 4.68 -7.68 0 3 0 39 194.23 1 ↓

Analogs

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Popular Name: (2R)-2-methyl-2-(5-methyl-2-furyl)tetrahydropyran-4-one (2R)-2-methyl-2-(5-methyl-2-fury…

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Activity (Go SEA)

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) 1.38 4.76 -6.63 0 3 0 39 194.23 1 ↓

Analogs

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Popular Name: (2R)-2-ethyl-2-(2-furyl)tetrahydropyran-4-one (2R)-2-ethyl-2-(2-furyl)tetrahyd…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.66 4.5 -7.1 0 3 0 39 194.23 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-ethyl-2-(2-furyl)tetrahydropyran-4-one (2S)-2-ethyl-2-(2-furyl)tetrahyd…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 1.66 4.54 -7.12 0 3 0 39 194.23 2 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 480089 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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