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Analogs

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Popular Name: 5-[(3-methyl-2-thienyl)methylamino]-1,3-dihydrobenzoimidazol-2-one 5-[(3-methyl-2-thienyl)methylami…

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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) 2.58 -4.62 -8.9 3 4 0 60 259.334 3 ↓

Analogs

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Popular Name: 5-[[(1R)-1-(3-methyl-2-thienyl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one 5-[[(1R)-1-(3-methyl-2-thienyl)e…

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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) 3.14 4.29 -9.06 3 4 0 61 273.361 3 ↓

Analogs

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Popular Name: 5-[[(1S)-1-(3-methyl-2-thienyl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one 5-[[(1S)-1-(3-methyl-2-thienyl)e…

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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) 3.14 4.29 -9.04 3 4 0 61 273.361 3 ↓

Analogs

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Popular Name: 5-bromo-6-[[(1R)-1-(3-methyl-2-thienyl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one 5-bromo-6-[[(1R)-1-(3-methyl-2-t…

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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) 3.88 5.01 -8.09 3 4 0 61 352.257 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-6-[[(1S)-1-(3-methyl-2-thienyl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one 5-bromo-6-[[(1S)-1-(3-methyl-2-t…

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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) 3.88 5 -8.1 3 4 0 61 352.257 3 ↓

Analogs

41202648
41202648
20095073
20095073
20095075
20095075

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Popular Name: 5-[[(1R)-1-(5-ethyl-2-thienyl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one 5-[[(1R)-1-(5-ethyl-2-thienyl)et…

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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) 3.56 5.35 -8.89 3 4 0 61 287.388 4 ↓

Analogs

41202645
41202645
20095073
20095073
20095075
20095075

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Popular Name: 5-[[(1S)-1-(5-ethyl-2-thienyl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one 5-[[(1S)-1-(5-ethyl-2-thienyl)et…

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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) 3.56 5.35 -8.89 3 4 0 61 287.388 4 ↓

Analogs

41204746
41204746
37129804
37129804
37129805
37129805

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Popular Name: 5-bromo-6-[[(1R)-1-(5-ethyl-2-thienyl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one 5-bromo-6-[[(1R)-1-(5-ethyl-2-th…

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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) 4.30 6.08 -8.01 3 4 0 61 366.284 4 ↓

Analogs

41204744
41204744
37129804
37129804
37129805
37129805

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Popular Name: 5-bromo-6-[[(1S)-1-(5-ethyl-2-thienyl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one 5-bromo-6-[[(1S)-1-(5-ethyl-2-th…

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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) 4.30 6.07 -7.99 3 4 0 61 366.284 4 ↓

Analogs

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Popular Name: 5-[[(1S)-2-methyl-1-(2-thienyl)propyl]amino]-1,3-dihydrobenzimidazol-2-one 5-[[(1S)-2-methyl-1-(2-thienyl)p…

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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) 3.51 5.17 -8.66 3 4 0 61 287.388 4 ↓

Analogs

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Popular Name: 5-[[(1R)-2-methyl-1-(2-thienyl)propyl]amino]-1,3-dihydrobenzimidazol-2-one 5-[[(1R)-2-methyl-1-(2-thienyl)p…

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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) 3.51 5.1 -8.57 3 4 0 61 287.388 4 ↓

Analogs

38001843
38001843
38001844
38001844

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Popular Name: 5-[[(1S)-1-(3-bromo-2-thienyl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one 5-[[(1S)-1-(3-bromo-2-thienyl)et…

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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) 3.50 4.26 -8.76 3 4 0 61 338.23 3 ↓

Analogs

38001843
38001843
38001844
38001844

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Popular Name: 5-[[(1R)-1-(3-bromo-2-thienyl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one 5-[[(1R)-1-(3-bromo-2-thienyl)et…

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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) 3.50 4.26 -8.76 3 4 0 61 338.23 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-6-[[(1S)-2-methyl-1-(2-thienyl)propyl]amino]-1,3-dihydrobenzimidazol-2-one 5-bromo-6-[[(1S)-2-methyl-1-(2-t…

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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) 4.25 5.88 -7.5 3 4 0 61 366.284 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-6-[[(1R)-2-methyl-1-(2-thienyl)propyl]amino]-1,3-dihydrobenzimidazol-2-one 5-bromo-6-[[(1R)-2-methyl-1-(2-t…

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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) 4.25 5.83 -7.34 3 4 0 61 366.284 4 ↓

Analogs

38003147
38003147
38003148
38003148

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Popular Name: 5-bromo-6-[[(1S)-1-(3-bromo-2-thienyl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one 5-bromo-6-[[(1S)-1-(3-bromo-2-th…

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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) 4.24 4.98 -7.66 3 4 0 61 417.126 3 ↓

Analogs

38003147
38003147
38003148
38003148

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-6-[[(1R)-1-(3-bromo-2-thienyl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one 5-bromo-6-[[(1R)-1-(3-bromo-2-th…

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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) 4.24 4.99 -7.66 3 4 0 61 417.126 3 ↓

Parameters Provided:

ring.id = 7353
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 = 7353 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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