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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[2-(5-Methyl-1H-benzoimidazol-2-yl)-ethyl]-phenylamine 4-[2-(5-Methyl-1H-benzoimidazol-…

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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) 3.02 6.98 -8.51 3 3 0 55 251.333 3 ↓
Mid Mid (pH 6-8) 3.02 7.39 -30.06 4 3 1 56 252.341 3 ↓

Analogs

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Popular Name: 2-[2-(p-tolyl)ethyl]-1H-benzimidazol-5-amine 2-[2-(p-tolyl)ethyl]-1H-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) 3.02 6.98 -8.36 3 3 0 55 251.333 3 ↓
Mid Mid (pH 6-8) 3.02 7.4 -29.9 4 3 1 56 252.341 3 ↓

Analogs

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Popular Name: 6-methyl-2-[2-(p-tolyl)ethyl]-1H-benzimidazole 6-methyl-2-[2-(p-tolyl)ethyl]-1H…

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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) 4.39 9.77 -7.86 1 2 0 29 250.345 3 ↓
Mid Mid (pH 6-8) 4.39 10.19 -30.29 2 2 1 30 251.353 3 ↓

Analogs

9379614
9379614

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Popular Name: 2-[2-(p-tolyl)ethyl]-1H-benzimidazole-5-carboxylic 2-[2-(p-tolyl)ethyl]-1H-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) 3.85 9.66 -49.37 1 4 -1 69 279.319 4 ↓
Mid Mid (pH 6-8) 3.85 10.06 -56.86 2 4 0 70 280.327 4 ↓

Analogs

12539190
12539190

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Popular Name: (1S)-2-(1-methylbenzimidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanol (1S)-2-(1-methylbenzimidazol-2-y…

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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) 2.23 6.25 -16.87 1 6 0 66 342.395 6 ↓

Analogs

12539187
12539187

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Popular Name: (1R)-2-(1-methylbenzimidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanol (1R)-2-(1-methylbenzimidazol-2-y…

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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) 2.23 6.22 -16.87 1 6 0 66 342.395 6 ↓

Analogs

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Popular Name: 3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]carbamoylamino]-N-(2-methoxyethyl)propanamide 3-[[(1S)-1-(1H-benzimidazol-2-yl…

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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) 2.09 4.11 -21.21 4 8 0 108 409.49 10 ↓
Lo Low (pH 4.5-6) 2.09 4.45 -46.55 5 8 1 109 410.498 10 ↓

Analogs

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Popular Name: 1-methyl-2-phenethyl-benzimidazole-5-carboxylic 1-methyl-2-phenethyl-benzimidazo…

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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) 3.47 10.6 -57.19 0 4 -1 58 279.319 4 ↓
Mid Mid (pH 6-8) 3.47 11.01 -54.87 1 4 0 59 280.327 4 ↓

Analogs

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Popular Name: (3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-3-methoxy-butanamide (3S)-N-[(1S)-1-(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) 3.02 8.05 -12.75 2 5 0 67 337.423 7 ↓
Lo Low (pH 4.5-6) 3.02 8.92 -34.36 3 5 1 68 338.431 7 ↓

Analogs

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Popular Name: (3R)-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-3-methoxy-butanamide (3R)-N-[(1S)-1-(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) 3.02 8.1 -11.6 2 5 0 67 337.423 7 ↓
Lo Low (pH 4.5-6) 3.02 8.92 -35.89 3 5 1 68 338.431 7 ↓

Analogs

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Popular Name: methyl {2-[1-cyano-2-(4-methoxyphenyl)ethyl]-1H-benzimidazol-1-yl}acetate methyl {2-[1-cyano-2-(4-methoxyp…

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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) 3.08 10.38 -22.74 0 6 0 77 349.39 7 ↓

Analogs

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Popular Name: methyl {2-[1-cyano-2-(4-methoxyphenyl)ethyl]-1H-benzimidazol-1-yl}acetate methyl {2-[1-cyano-2-(4-methoxyp…

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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) 3.08 10.38 -16.53 0 6 0 77 349.39 7 ↓

Analogs

5819252
5819252
5819258
5819258

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Popular Name: (1S)-2-(6-methyl-1H-benzimidazol-2-yl)-1-phenyl-ethanamine (1S)-2-(6-methyl-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) 1.25 6.21 -45.78 4 3 1 56 252.341 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(6-methyl-1H-benzimidazol-2-yl)-1-phenyl-ethanamine (1R)-2-(6-methyl-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) 1.25 7.01 -40.12 4 3 1 56 252.341 3 ↓

Analogs

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Popular Name: 4-[(2R)-2-amino-2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenol 4-[(2R)-2-amino-2-(6-methyl-1H-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) 0.77 3.4 -48.44 5 4 1 77 268.34 3 ↓

Analogs

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Popular Name: 4-[(2S)-2-amino-2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenol 4-[(2S)-2-amino-2-(6-methyl-1H-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) 0.77 3.71 -55.29 5 4 1 77 268.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(6-methyl-1H-benzimidazol-2-yl)-2-phenyl-ethanamine (1R)-1-(6-methyl-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) 1.25 6.25 -44.12 4 3 1 56 252.341 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-phenyl-ethanamine (1S)-1-(6-methyl-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) 1.25 6.56 -50.98 4 3 1 56 252.341 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-(1-ethylbenzimidazol-2-yl)-1-phenyl-ethanamine (1S)-2-(1-ethylbenzimidazol-2-yl…

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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) 1.27 8.41 -50.02 3 3 1 45 266.368 4 ↓
Hi High (pH 8-9.5) 1.27 8.1 -9.4 2 3 0 44 265.36 4 ↓
Mid Mid (pH 6-8) 1.27 8.65 -111 4 3 2 47 267.376 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-(1-ethylbenzimidazol-2-yl)-1-phenyl-ethanamine (1R)-2-(1-ethylbenzimidazol-2-yl…

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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) 1.27 8.27 -42.7 3 3 1 45 266.368 4 ↓
Hi High (pH 8-9.5) 1.27 7.91 -7.76 2 3 0 44 265.36 4 ↓
Mid Mid (pH 6-8) 1.27 8.73 -112.61 4 3 2 47 267.376 4 ↓

Analogs

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Popular Name: (1S)-1-phenyl-2-(1-propylbenzimidazol-2-yl)ethanamine (1S)-1-phenyl-2-(1-propylbenzimi…

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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) 1.77 9.17 -49.85 3 3 1 45 280.395 5 ↓
Hi High (pH 8-9.5) 1.77 8.85 -9.03 2 3 0 44 279.387 5 ↓
Mid Mid (pH 6-8) 1.77 9.41 -111.96 4 3 2 47 281.403 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-phenyl-2-(1-propylbenzimidazol-2-yl)ethanamine (1R)-1-phenyl-2-(1-propylbenzimi…

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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) 1.77 9.02 -42.62 3 3 1 45 280.395 5 ↓
Hi High (pH 8-9.5) 1.77 8.66 -7.35 2 3 0 44 279.387 5 ↓
Mid Mid (pH 6-8) 1.77 9.48 -113.46 4 3 2 47 281.403 5 ↓

Analogs

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Popular Name: (1S)-2-(1-isopropylbenzimidazol-2-yl)-1-phenyl-ethanamine (1S)-2-(1-isopropylbenzimidazol-…

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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) 1.63 8.72 -48.88 3 3 1 45 280.395 4 ↓
Hi High (pH 8-9.5) 1.63 8.37 -8.94 2 3 0 44 279.387 4 ↓
Mid Mid (pH 6-8) 1.63 9.1 -111.91 4 3 2 47 281.403 4 ↓

Analogs

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Popular Name: (1R)-2-(1-isopropylbenzimidazol-2-yl)-1-phenyl-ethanamine (1R)-2-(1-isopropylbenzimidazol-…

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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) 1.63 8.57 -42.2 3 3 1 45 280.395 4 ↓
Hi High (pH 8-9.5) 1.63 8.19 -8.73 2 3 0 44 279.387 4 ↓
Mid Mid (pH 6-8) 1.63 8.99 -109.54 4 3 2 47 281.403 4 ↓

Parameters Provided:

ring.id = 13608
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 = 13608 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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