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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 1-(2-cyclohexyl-1H-benzimidazol-5-yl)ethanone 1-(2-cyclohexyl-1H-benzimidazol-…

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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) 3.30 7.5 -13.28 1 3 0 46 242.322 2 ↓
Lo Low (pH 4.5-6) 3.30 8.02 -32.54 2 3 1 47 243.33 2 ↓

Analogs

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Popular Name: 4-(2-cyclohexyl-5-nitro-benzimidazol-1-yl)butan-1-ol 4-(2-cyclohexyl-5-nitro-benzimid…

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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) 3.33 8.3 -12.52 1 6 0 84 317.389 6 ↓
Lo Low (pH 4.5-6) 3.33 8.7 -39.3 2 6 1 85 318.397 6 ↓

Analogs

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Popular Name: (1S,2R)-2-(6-methyl-1H-benzimidazol-2-yl)cyclohexanecarboxylic (1S,2R)-2-(6-methyl-1H-benzimida…

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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) 2.96 8.27 -46.04 1 4 -1 69 257.313 2 ↓

Analogs

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Popular Name: (1S,2S)-2-(6-methyl-1H-benzimidazol-2-yl)cyclohexanecarboxylic (1S,2S)-2-(6-methyl-1H-benzimida…

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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) 2.96 8.34 -57.68 1 4 -1 69 257.313 2 ↓

Analogs

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Popular Name: (1R,2R)-2-(6-methyl-1H-benzimidazol-2-yl)cyclohexanecarboxylic (1R,2R)-2-(6-methyl-1H-benzimida…

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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) 2.96 8.13 -60.79 1 4 -1 69 257.313 2 ↓

Analogs

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Popular Name: (1R,2S)-2-(6-methyl-1H-benzimidazol-2-yl)cyclohexanecarboxylic (1R,2S)-2-(6-methyl-1H-benzimida…

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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) 2.96 7.96 -47.54 1 4 -1 69 257.313 2 ↓

Analogs

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Popular Name: (1S,2R)-2-(1-methylbenzimidazol-2-yl)cyclohexanecarboxylic (1S,2R)-2-(1-methylbenzimidazol-…

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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) 2.60 9.22 -59.66 0 4 -1 58 257.313 2 ↓
Mid Mid (pH 6-8) 2.60 9.26 -34.44 1 4 0 59 258.321 2 ↓

Analogs

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Popular Name: (1S,2S)-2-(1-methylbenzimidazol-2-yl)cyclohexanecarboxylic (1S,2S)-2-(1-methylbenzimidazol-…

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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) 2.60 8.67 -52.79 0 4 -1 58 257.313 2 ↓
Mid Mid (pH 6-8) 2.60 9.14 -33.55 1 4 0 59 258.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclohexanecarboxylic (1R,2R)-2-(1-methylbenzimidazol-…

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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) 2.60 8.86 -55.17 0 4 -1 58 257.313 2 ↓
Mid Mid (pH 6-8) 2.60 9.46 -35.23 1 4 0 59 258.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(1-methylbenzimidazol-2-yl)cyclohexanecarboxylic (1R,2S)-2-(1-methylbenzimidazol-…

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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) 2.60 9.11 -62.84 0 4 -1 58 257.313 2 ↓
Mid Mid (pH 6-8) 2.60 9.36 -33.99 1 4 0 59 258.321 2 ↓

Analogs

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Popular Name: (1S,2R)-2-(1-ethylbenzimidazol-2-yl)cyclohexanecarboxylic (1S,2R)-2-(1-ethylbenzimidazol-2…

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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) 2.98 10.09 -59.26 0 4 -1 58 271.34 3 ↓
Mid Mid (pH 6-8) 2.98 10.17 -33.26 1 4 0 59 272.348 3 ↓

Analogs

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Popular Name: (1S,2S)-2-(1-ethylbenzimidazol-2-yl)cyclohexanecarboxylic (1S,2S)-2-(1-ethylbenzimidazol-2…

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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) 2.98 9.28 -53.92 0 4 -1 58 271.34 3 ↓
Mid Mid (pH 6-8) 2.98 10.03 -33.82 1 4 0 59 272.348 3 ↓

Analogs

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Popular Name: (1R,2R)-2-(1-ethylbenzimidazol-2-yl)cyclohexanecarboxylic (1R,2R)-2-(1-ethylbenzimidazol-2…

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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) 2.98 9.76 -55.5 0 4 -1 58 271.34 3 ↓
Mid Mid (pH 6-8) 2.98 10.24 -34.38 1 4 0 59 272.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(1-ethylbenzimidazol-2-yl)cyclohexanecarboxylic (1R,2S)-2-(1-ethylbenzimidazol-2…

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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) 2.98 10.01 -62.86 0 4 -1 58 271.34 3 ↓
Mid Mid (pH 6-8) 2.98 10.13 -33.57 1 4 0 59 272.348 3 ↓

Analogs

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Popular Name: (1S,2R)-2-(1-propylbenzimidazol-2-yl)cyclohexanecarboxylic (1S,2R)-2-(1-propylbenzimidazol-…

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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) 3.48 10.86 -58.7 0 4 -1 58 285.367 4 ↓
Mid Mid (pH 6-8) 3.48 10.92 -32.55 1 4 0 59 286.375 4 ↓

Analogs

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Popular Name: (1S,2S)-2-(1-propylbenzimidazol-2-yl)cyclohexanecarboxylic (1S,2S)-2-(1-propylbenzimidazol-…

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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) 3.48 10.03 -54.46 0 4 -1 58 285.367 4 ↓
Mid Mid (pH 6-8) 3.48 10.79 -33.72 1 4 0 59 286.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(1-propylbenzimidazol-2-yl)cyclohexanecarboxylic (1R,2R)-2-(1-propylbenzimidazol-…

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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) 3.48 10.52 -55.41 0 4 -1 58 285.367 4 ↓
Mid Mid (pH 6-8) 3.48 11 -33.85 1 4 0 59 286.375 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(1-propylbenzimidazol-2-yl)cyclohexanecarboxylic (1R,2S)-2-(1-propylbenzimidazol-…

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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) 3.48 10.77 -62.39 0 4 -1 58 285.367 4 ↓
Mid Mid (pH 6-8) 3.48 10.89 -33 1 4 0 59 286.375 4 ↓

Analogs

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Popular Name: (1S,2R)-2-(1-isopropylbenzimidazol-2-yl)cyclohexanecarboxylic (1S,2R)-2-(1-isopropylbenzimidaz…

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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) 3.34 10.43 -59.24 0 4 -1 58 285.367 3 ↓
Mid Mid (pH 6-8) 3.34 10.46 -33.43 1 4 0 59 286.375 3 ↓

Analogs

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Popular Name: (1S,2S)-2-(1-isopropylbenzimidazol-2-yl)cyclohexanecarboxylic (1S,2S)-2-(1-isopropylbenzimidaz…

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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) 3.34 9.79 -52.51 0 4 -1 58 285.367 3 ↓
Mid Mid (pH 6-8) 3.34 10.34 -32.82 1 4 0 59 286.375 3 ↓

Analogs

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Popular Name: (1R,2R)-2-(1-isopropylbenzimidazol-2-yl)cyclohexanecarboxylic (1R,2R)-2-(1-isopropylbenzimidaz…

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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) 3.34 10.08 -56.04 0 4 -1 58 285.367 3 ↓
Mid Mid (pH 6-8) 3.34 10.69 -34.78 1 4 0 59 286.375 3 ↓

Analogs

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Popular Name: (1R,2S)-2-(1-isopropylbenzimidazol-2-yl)cyclohexanecarboxylic (1R,2S)-2-(1-isopropylbenzimidaz…

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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) 3.34 10.35 -62.69 0 4 -1 58 285.367 3 ↓
Mid Mid (pH 6-8) 3.34 10.57 -32.2 1 4 0 59 286.375 3 ↓

Parameters Provided:

ring.id = 30620
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 = 30620 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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