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Analogs

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Popular Name: 6-[(R)-hydroxy-[(3R)-tetrahydrofuran-3-yl]methyl]-1,4-dihydroquinoxaline-2,3-dione 6-[(R)-hydroxy-[(3R)-tetrahydrof…

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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) -0.61 -0.05 -13.93 3 6 0 95 262.265 2 ↓

Analogs

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Popular Name: 6-[(S)-hydroxy-[(3R)-tetrahydrofuran-3-yl]methyl]-1,4-dihydroquinoxaline-2,3-dione 6-[(S)-hydroxy-[(3R)-tetrahydrof…

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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) -0.61 -0.29 -14.73 3 6 0 95 262.265 2 ↓

Analogs

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Popular Name: 6-[(R)-hydroxy-[(3S)-tetrahydrofuran-3-yl]methyl]-1,4-dihydroquinoxaline-2,3-dione 6-[(R)-hydroxy-[(3S)-tetrahydrof…

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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) -0.61 -0.18 -14.95 3 6 0 95 262.265 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-hydroxy-[(3S)-tetrahydrofuran-3-yl]methyl]-1,4-dihydroquinoxaline-2,3-dione 6-[(S)-hydroxy-[(3S)-tetrahydrof…

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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) -0.61 0.03 -14.22 3 6 0 95 262.265 2 ↓

Analogs

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Popular Name: 6-[(R)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-1,4-dihydroquinoxaline-2,3-dione 6-[(R)-chloro-[(3R)-tetrahydrofu…

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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) 0.76 3.13 -13.68 2 5 0 75 280.711 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-1,4-dihydroquinoxaline-2,3-dione 6-[(S)-chloro-[(3R)-tetrahydrofu…

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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) 0.76 3.11 -14.23 2 5 0 75 280.711 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-1,4-dihydroquinoxaline-2,3-dione 6-[(R)-chloro-[(3S)-tetrahydrofu…

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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) 0.76 3.08 -13.92 2 5 0 75 280.711 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-1,4-dihydroquinoxaline-2,3-dione 6-[(S)-chloro-[(3S)-tetrahydrofu…

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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) 0.76 3.12 -14.67 2 5 0 75 280.711 2 ↓

Analogs

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Popular Name: 6-[(R)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-1,4-dihydroquinoxaline-2,3-dione 6-[(R)-bromo-[(3R)-tetrahydrofur…

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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) 0.89 3.19 -13.37 2 5 0 75 325.162 2 ↓

Analogs

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Popular Name: 6-[(S)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-1,4-dihydroquinoxaline-2,3-dione 6-[(S)-bromo-[(3R)-tetrahydrofur…

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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) 0.89 3.19 -13.93 2 5 0 75 325.162 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(R)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-1,4-dihydroquinoxaline-2,3-dione 6-[(R)-bromo-[(3S)-tetrahydrofur…

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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) 0.89 3.13 -13.68 2 5 0 75 325.162 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[(S)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-1,4-dihydroquinoxaline-2,3-dione 6-[(S)-bromo-[(3S)-tetrahydrofur…

Find On: PubMed — Wikipedia — Google

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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) 0.89 3.2 -14.42 2 5 0 75 325.162 2 ↓

Parameters Provided:

ring.id = 20672
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 = 20672 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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