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Analogs

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Popular Name: 1-cyclopentyl-2-cyclopropyl-benzimidazol-5-amine 1-cyclopentyl-2-cyclopropyl-benz…

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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) 2.40 7.48 -9.04 2 3 0 44 241.338 2 ↓
Mid Mid (pH 6-8) 2.40 7.84 -22.11 3 3 1 45 242.346 2 ↓

Analogs

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Popular Name: 2-cyclopropyl-1-[(1S,2R)-2-methoxycyclopentyl]benzimidazol-5-amine 2-cyclopropyl-1-[(1S,2R)-2-metho…

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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) 1.87 6.96 -10.42 2 4 0 53 271.364 3 ↓
Mid Mid (pH 6-8) 1.87 7.32 -22.26 3 4 1 54 272.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-1-[(1S,2S)-2-methoxycyclopentyl]benzimidazol-5-amine 2-cyclopropyl-1-[(1S,2S)-2-metho…

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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) 1.87 6.44 -9.35 2 4 0 53 271.364 3 ↓
Mid Mid (pH 6-8) 1.87 6.8 -21.95 3 4 1 54 272.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-1-[(1R,2R)-2-methoxycyclopentyl]benzimidazol-5-amine 2-cyclopropyl-1-[(1R,2R)-2-metho…

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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) 1.87 5.92 -9.48 2 4 0 53 271.364 3 ↓
Mid Mid (pH 6-8) 1.87 6.36 -22.45 3 4 1 54 272.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopropyl-1-[(1R,2S)-2-methoxycyclopentyl]benzimidazol-5-amine 2-cyclopropyl-1-[(1R,2S)-2-metho…

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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) 1.87 6.38 -11.28 2 4 0 53 271.364 3 ↓
Mid Mid (pH 6-8) 1.87 7.09 -22.22 3 4 1 54 272.372 3 ↓

Analogs

52212631
52212631

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Popular Name: 1-cyclopentyl-2-cyclopropyl-benzimidazole-5-carboxylic 1-cyclopentyl-2-cyclopropyl-benz…

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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) 3.24 10.15 -56.87 0 4 -1 58 269.324 3 ↓
Mid Mid (pH 6-8) 3.24 10.51 -48 1 4 0 59 270.332 3 ↓

Parameters Provided:

ring.id = 27286
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 = 27286 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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