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Analogs

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Popular Name: 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-1-pyrrolidin-1-yl-ethanone 2-[2-[(4-chlorophenoxy)methyl]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) 3.69 10.56 -15.76 0 5 0 47 369.852 5 ↓
Lo Low (pH 4.5-6) 3.69 11.22 -35.65 1 5 1 49 370.86 5 ↓

Analogs

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Popular Name: 2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-1-pyrrolidin-1-yl-ethanone 2-[2-[(2,4-dichlorophenoxy)methy…

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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) 4.29 11.11 -16.09 0 5 0 47 404.297 5 ↓
Lo Low (pH 4.5-6) 4.29 11.77 -36.91 1 5 1 49 405.305 5 ↓

Analogs

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Popular Name: 2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-1-pyrrolidin-1-yl-ethanone 2-[2-[(2-chlorophenoxy)methyl]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) 3.64 10.6 -17.27 0 5 0 47 369.852 5 ↓
Lo Low (pH 4.5-6) 3.64 11.26 -34.52 1 5 1 49 370.86 5 ↓

Analogs

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Popular Name: 2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]-1-pyrrolidin-1-yl-ethanone 2-[2-[(2-methoxyphenoxy)methyl]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) 2.62 9.94 -19.18 0 6 0 57 365.433 6 ↓
Lo Low (pH 4.5-6) 2.62 10.58 -33.88 1 6 1 58 366.441 6 ↓

Analogs

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Popular Name: 2-[2-[(2-isopropyl-5-methyl-phenoxy)methyl]benzimidazol-1-yl]-1-pyrrolidin-1-yl-ethanone 2-[2-[(2-isopropyl-5-methyl-phen…

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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) 4.42 12.73 -16.36 0 5 0 47 391.515 6 ↓
Lo Low (pH 4.5-6) 4.42 13.39 -33 1 5 1 49 392.523 6 ↓

Analogs

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Popular Name: 2-[2-[(2-methylphenoxy)methyl]benzimidazol-1-yl]-1-pyrrolidin-1-yl-ethanone 2-[2-[(2-methylphenoxy)methyl]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) 3.41 10.79 -16.46 0 5 0 47 349.434 5 ↓
Lo Low (pH 4.5-6) 3.41 11.46 -33.21 1 5 1 49 350.442 5 ↓

Analogs

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Popular Name: 2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]-1-pyrrolidin-1-yl-ethanone 2-[2-[(3-methylphenoxy)methyl]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) 3.43 10.71 -16.63 0 5 0 47 349.434 5 ↓
Lo Low (pH 4.5-6) 3.43 11.39 -33.02 1 5 1 49 350.442 5 ↓

Analogs

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Popular Name: 2-[2-[(2,5-dimethylphenoxy)methyl]benzimidazol-1-yl]-1-pyrrolidin-1-yl-ethanone 2-[2-[(2,5-dimethylphenoxy)methy…

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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) 3.83 11.46 -16.48 0 5 0 47 363.461 5 ↓
Lo Low (pH 4.5-6) 3.83 12.13 -33.03 1 5 1 49 364.469 5 ↓

Analogs

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Popular Name: 2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-1-pyrrolidin-1-yl-ethanone 2-[2-[(3-methoxyphenoxy)methyl]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) 3.04 9.33 -18 0 6 0 57 365.433 6 ↓
Lo Low (pH 4.5-6) 3.04 10.01 -35.34 1 6 1 58 366.441 6 ↓

Analogs

5185859
5185859

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Popular Name: 2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-1-pyrrolidin-1-yl-ethanone 2-[2-[(4-methylphenoxy)methyl]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) 3.46 10.71 -16.39 0 5 0 47 349.434 5 ↓
Lo Low (pH 4.5-6) 3.46 11.39 -33 1 5 1 49 350.442 5 ↓

Analogs

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Popular Name: 2-[2-[(4-ethylphenoxy)methyl]benzimidazol-1-yl]-1-pyrrolidin-1-yl-ethanone 2-[2-[(4-ethylphenoxy)methyl]ben…

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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) 3.92 11.48 -16.17 0 5 0 47 363.461 6 ↓
Lo Low (pH 4.5-6) 3.92 12.15 -32.88 1 5 1 49 364.469 6 ↓

Analogs

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Popular Name: 2-[2-[(4-methoxyphenoxy)methyl]benzimidazol-1-yl]-1-pyrrolidin-1-yl-ethanone 2-[2-[(4-methoxyphenoxy)methyl]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) 3.06 9.32 -17.3 0 6 0 57 365.433 6 ↓
Lo Low (pH 4.5-6) 3.06 9.99 -35.03 1 6 1 58 366.441 6 ↓

Analogs

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Popular Name: 2-[2-[(4-isopropylphenoxy)methyl]benzimidazol-1-yl]-1-pyrrolidin-1-yl-ethanone 2-[2-[(4-isopropylphenoxy)methyl…

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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) 4.52 11.97 -16.03 0 5 0 47 377.488 6 ↓
Lo Low (pH 4.5-6) 4.52 12.64 -32.83 1 5 1 49 378.496 6 ↓

Analogs

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Popular Name: 2-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]-1-pyrrolidin-1-yl-ethanone 2-[2-[(4-tert-butylphenoxy)methy…

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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) 4.71 12.36 -15.96 0 5 0 47 391.515 6 ↓
Lo Low (pH 4.5-6) 4.71 13.03 -32.87 1 5 1 49 392.523 6 ↓

Analogs

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Popular Name: 2-[2-[(1S)-1-phenoxyethyl]benzimidazol-1-yl]-1-pyrrolidin-1-yl-ethanone 2-[2-[(1S)-1-phenoxyethyl]benzim…

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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) 3.37 10.45 -18.47 0 5 0 47 349.434 5 ↓
Lo Low (pH 4.5-6) 3.37 10.93 -29.38 1 5 1 49 350.442 5 ↓

Analogs

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Popular Name: 2-[2-[(1R)-1-phenoxyethyl]benzimidazol-1-yl]-1-pyrrolidin-1-yl-ethanone 2-[2-[(1R)-1-phenoxyethyl]benzim…

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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) 3.37 10.44 -21.62 0 5 0 47 349.434 5 ↓
Lo Low (pH 4.5-6) 3.37 11.19 -29.53 1 5 1 49 350.442 5 ↓

Analogs

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Popular Name: 2-[2-[(1S)-1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-pyrrolidin-1-yl-ethanone 2-[2-[(1S)-1-(4-chlorophenoxy)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) 4.05 10.96 -17.46 0 5 0 47 383.879 5 ↓
Lo Low (pH 4.5-6) 4.05 11.45 -31.67 1 5 1 49 384.887 5 ↓

Analogs

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Popular Name: 2-[2-[(1R)-1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]-1-pyrrolidin-1-yl-ethanone 2-[2-[(1R)-1-(4-chlorophenoxy)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) 4.05 10.95 -20.26 0 5 0 47 383.879 5 ↓
Lo Low (pH 4.5-6) 4.05 11.71 -32.26 1 5 1 49 384.887 5 ↓

Parameters Provided:

ring.id = 7709
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 = 7709 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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