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Popular Name: 5-[(R)-hydroxy-[(3R)-tetrahydrofuran-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one 5-[(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) 0.72 -0.22 -10.5 3 5 0 78 234.255 2 ↓

Analogs

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Popular Name: 5-[(S)-hydroxy-[(3R)-tetrahydrofuran-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one 5-[(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) 0.72 -0.46 -11.03 3 5 0 78 234.255 2 ↓

Analogs

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Popular Name: 5-[(R)-hydroxy-[(3S)-tetrahydrofuran-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one 5-[(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) 0.72 -0.36 -11.19 3 5 0 78 234.255 2 ↓

Analogs

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Popular Name: 5-[(S)-hydroxy-[(3S)-tetrahydrofuran-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one 5-[(S)-hydroxy-[(3S)-tetrahydrof…

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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) 0.72 -0.13 -10.44 3 5 0 78 234.255 2 ↓

Analogs

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Popular Name: 5-[(R)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one 5-[(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) 2.10 2.96 -9.93 2 4 0 58 252.701 2 ↓

Analogs

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Popular Name: 5-[(S)-chloro-[(3R)-tetrahydrofuran-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one 5-[(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) 2.10 2.94 -9.89 2 4 0 58 252.701 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one 5-[(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) 2.10 2.91 -9.98 2 4 0 58 252.701 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-chloro-[(3S)-tetrahydrofuran-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one 5-[(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) 2.10 2.96 -11.03 2 4 0 58 252.701 2 ↓

Analogs

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Popular Name: 5-[(R)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one 5-[(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) 2.23 3.03 -9.57 2 4 0 58 297.152 2 ↓

Analogs

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Popular Name: 5-[(S)-bromo-[(3R)-tetrahydrofuran-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one 5-[(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) 2.23 3.02 -9.62 2 4 0 58 297.152 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one 5-[(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) 2.23 2.97 -9.76 2 4 0 58 297.152 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-bromo-[(3S)-tetrahydrofuran-3-yl]methyl]-1,3-dihydrobenzimidazol-2-one 5-[(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) 2.23 3.05 -10.73 2 4 0 58 297.152 2 ↓

Parameters Provided:

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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 = 20681 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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