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Analogs

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Popular Name: 1-(cyclopropylmethyl)-2-ethyl-benzimidazol-5-amine 1-(cyclopropylmethyl)-2-ethyl-be…

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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) 2.08 6.57 -9.35 2 3 0 44 215.3 3 ↓
Mid Mid (pH 6-8) 2.08 6.91 -24.42 3 3 1 45 216.308 3 ↓

Analogs

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Popular Name: 1-(cyclopropylmethyl)-2-propyl-benzimidazol-5-amine 1-(cyclopropylmethyl)-2-propyl-b…

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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 7.35 -9.09 2 3 0 44 229.327 4 ↓
Mid Mid (pH 6-8) 2.58 7.69 -24.32 3 3 1 45 230.335 4 ↓

Analogs

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Popular Name: 1-(cyclopropylmethyl)-2-isopropyl-benzimidazol-5-amine 1-(cyclopropylmethyl)-2-isopropy…

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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) 2.56 6.99 -9.05 2 3 0 44 229.327 3 ↓
Mid Mid (pH 6-8) 2.56 7.51 -22.88 3 3 1 45 230.335 3 ↓

Analogs

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Popular Name: 2-tert-butyl-1-(cyclopropylmethyl)benzimidazol-5-amine 2-tert-butyl-1-(cyclopropylmethy…

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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) 3.23 7.21 -9.09 2 3 0 44 243.354 3 ↓
Mid Mid (pH 6-8) 3.23 7.61 -21.78 3 3 1 45 244.362 3 ↓

Analogs

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Popular Name: 1-(cyclopropylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine 1-(cyclopropylmethyl)-2-(trifluo…

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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) 2.42 6.21 -8.15 2 3 0 44 255.243 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclopropylethyl]benzimidazol-5-amine 1-[(1S)-1-cyclopropylethyl]benzi…

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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) 1.78 6.54 -8.33 2 3 0 44 201.273 2 ↓
Mid Mid (pH 6-8) 1.78 7.03 -27.83 3 3 1 45 202.281 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclopropylethyl]benzimidazol-5-amine 1-[(1R)-1-cyclopropylethyl]benzi…

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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) 1.78 6.35 -8.33 2 3 0 44 201.273 2 ↓
Mid Mid (pH 6-8) 1.78 6.84 -28.1 3 3 1 45 202.281 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclopropylethyl]-2-methyl-benzimidazol-5-amine 1-[(1S)-1-cyclopropylethyl]-2-me…

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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 6.16 -9.35 2 3 0 44 215.3 2 ↓
Mid Mid (pH 6-8) 1.87 6.6 -24.26 3 3 1 45 216.308 2 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclopropylethyl]-2-methyl-benzimidazol-5-amine 1-[(1R)-1-cyclopropylethyl]-2-me…

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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 6.16 -9.39 2 3 0 44 215.3 2 ↓
Mid Mid (pH 6-8) 1.87 6.6 -25.18 3 3 1 45 216.308 2 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclopropylethyl]-2-ethyl-benzimidazol-5-amine 1-[(1S)-1-cyclopropylethyl]-2-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) 2.44 6.49 -9.04 2 3 0 44 229.327 3 ↓
Mid Mid (pH 6-8) 2.44 7.36 -23.7 3 3 1 45 230.335 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclopropylethyl]-2-ethyl-benzimidazol-5-amine 1-[(1R)-1-cyclopropylethyl]-2-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) 2.44 6.82 -9.09 2 3 0 44 229.327 3 ↓
Mid Mid (pH 6-8) 2.44 7.2 -23.66 3 3 1 45 230.335 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclopropylethyl]-2-propyl-benzimidazol-5-amine 1-[(1S)-1-cyclopropylethyl]-2-pr…

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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) 2.94 7.56 -8.63 2 3 0 44 243.354 4 ↓
Mid Mid (pH 6-8) 2.94 8.14 -23.6 3 3 1 45 244.362 4 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclopropylethyl]-2-propyl-benzimidazol-5-amine 1-[(1R)-1-cyclopropylethyl]-2-pr…

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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) 2.94 7.54 -8.79 2 3 0 44 243.354 4 ↓
Mid Mid (pH 6-8) 2.94 7.98 -23.62 3 3 1 45 244.362 4 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclopropylethyl]-2-isopropyl-benzimidazol-5-amine 1-[(1S)-1-cyclopropylethyl]-2-is…

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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) 2.93 7.38 -8.55 2 3 0 44 243.354 3 ↓
Mid Mid (pH 6-8) 2.93 7.97 -22.16 3 3 1 45 244.362 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclopropylethyl]-2-isopropyl-benzimidazol-5-amine 1-[(1R)-1-cyclopropylethyl]-2-is…

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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) 2.93 7.22 -8.72 2 3 0 44 243.354 3 ↓
Mid Mid (pH 6-8) 2.93 7.81 -22.16 3 3 1 45 244.362 3 ↓

Analogs

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Popular Name: 2-tert-butyl-1-[(1S)-1-cyclopropylethyl]benzimidazol-5-amine 2-tert-butyl-1-[(1S)-1-cycloprop…

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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) 3.59 7.45 -8.81 2 3 0 44 257.381 3 ↓
Mid Mid (pH 6-8) 3.59 7.97 -21.14 3 3 1 45 258.389 3 ↓

Analogs

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Popular Name: 2-tert-butyl-1-[(1R)-1-cyclopropylethyl]benzimidazol-5-amine 2-tert-butyl-1-[(1R)-1-cycloprop…

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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) 3.59 7.37 -8.94 2 3 0 44 257.381 3 ↓
Mid Mid (pH 6-8) 3.59 7.81 -21.11 3 3 1 45 258.389 3 ↓

Analogs

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Popular Name: 1-[(1S)-1-cyclopropylethyl]-2-(trifluoromethyl)benzimidazol-5-amine 1-[(1S)-1-cyclopropylethyl]-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) 2.78 6.54 -7.79 2 3 0 44 269.27 3 ↓

Analogs

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Popular Name: 1-[(1R)-1-cyclopropylethyl]-2-(trifluoromethyl)benzimidazol-5-amine 1-[(1R)-1-cyclopropylethyl]-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) 2.78 6.47 -7.7 2 3 0 44 269.27 3 ↓

Analogs

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Popular Name: 1-[(2,2-dichlorocyclopropyl)methyl]-2-methyl-1H-benzimidazole 1-[(2,2-dichlorocyclopropyl)meth…

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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) 3.45 0.27 -9.26 0 2 0 17 255.148 2 ↓

Analogs

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Popular Name: 1-[(2,2-dichlorocyclopropyl)methyl]-2-methyl-1H-benzimidazole 1-[(2,2-dichlorocyclopropyl)meth…

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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) 3.45 0.3 -9.19 0 2 0 17 255.148 2 ↓

Analogs

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Popular Name: 2-tert-butyl-1-(cyclopropylmethyl)benzimidazole-5-carboxylic 2-tert-butyl-1-(cyclopropylmethy…

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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) 4.07 9.88 -56.53 0 4 -1 58 271.34 4 ↓
Mid Mid (pH 6-8) 4.07 10.28 -47.03 1 4 0 59 272.348 4 ↓

Analogs

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Popular Name: 1-(cyclopropylmethyl)-2-isopropyl-benzimidazole-5-carboxylic 1-(cyclopropylmethyl)-2-isopropy…

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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) 3.40 9.67 -56.41 0 4 -1 58 257.313 4 ↓
Mid Mid (pH 6-8) 3.40 10.17 -49.16 1 4 0 59 258.321 4 ↓

Analogs

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Popular Name: 1-(cyclopropylmethyl)-2-ethyl-benzimidazole-5-carboxylic 1-(cyclopropylmethyl)-2-ethyl-be…

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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) 2.91 9.25 -56.45 0 4 -1 58 243.286 4 ↓
Mid Mid (pH 6-8) 2.91 9.57 -51.57 1 4 0 59 244.294 4 ↓

Parameters Provided:

ring.id = 28032
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 = 28032 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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