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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-[[(3S)-tetrahydropyran-3-yl]methyl]benzimidazol-5-amine 1-[[(3S)-tetrahydropyran-3-yl]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) 1.31 5.22 -11.14 2 4 0 53 231.299 2 ↓
Mid Mid (pH 6-8) 1.31 5.71 -33.16 3 4 1 54 232.307 2 ↓

Analogs

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Popular Name: 1-[[(3R)-tetrahydropyran-3-yl]methyl]benzimidazol-5-amine 1-[[(3R)-tetrahydropyran-3-yl]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) 1.31 5.15 -10.97 2 4 0 53 231.299 2 ↓
Mid Mid (pH 6-8) 1.31 5.64 -33.35 3 4 1 54 232.307 2 ↓

Analogs

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Popular Name: 2-methyl-1-[[(3S)-tetrahydropyran-3-yl]methyl]benzimidazol-5-amine 2-methyl-1-[[(3S)-tetrahydropyra…

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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) 1.39 5.09 -11.46 2 4 0 53 245.326 2 ↓
Mid Mid (pH 6-8) 1.39 5.52 -28.5 3 4 1 54 246.334 2 ↓

Analogs

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Popular Name: 2-methyl-1-[[(3R)-tetrahydropyran-3-yl]methyl]benzimidazol-5-amine 2-methyl-1-[[(3R)-tetrahydropyra…

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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) 1.39 4.78 -11.6 2 4 0 53 245.326 2 ↓
Mid Mid (pH 6-8) 1.39 5.21 -28.44 3 4 1 54 246.334 2 ↓

Analogs

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Popular Name: 2-ethyl-1-[[(3S)-tetrahydropyran-3-yl]methyl]benzimidazol-5-amine 2-ethyl-1-[[(3S)-tetrahydropyran…

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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) 1.97 5.69 -11.13 2 4 0 53 259.353 3 ↓
Mid Mid (pH 6-8) 1.97 5.97 -27.28 3 4 1 54 260.361 3 ↓

Analogs

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Popular Name: 2-ethyl-1-[[(3R)-tetrahydropyran-3-yl]methyl]benzimidazol-5-amine 2-ethyl-1-[[(3R)-tetrahydropyran…

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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) 1.97 5.36 -11.27 2 4 0 53 259.353 3 ↓
Mid Mid (pH 6-8) 1.97 6.24 -26.82 3 4 1 54 260.361 3 ↓

Analogs

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Popular Name: 2-propyl-1-[[(3S)-tetrahydropyran-3-yl]methyl]benzimidazol-5-amine 2-propyl-1-[[(3S)-tetrahydropyra…

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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) 2.47 6.47 -10.81 2 4 0 53 273.38 4 ↓
Mid Mid (pH 6-8) 2.47 6.75 -27.22 3 4 1 54 274.388 4 ↓

Analogs

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Popular Name: 2-propyl-1-[[(3R)-tetrahydropyran-3-yl]methyl]benzimidazol-5-amine 2-propyl-1-[[(3R)-tetrahydropyra…

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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) 2.47 6.14 -10.98 2 4 0 53 273.38 4 ↓
Mid Mid (pH 6-8) 2.47 7.02 -26.92 3 4 1 54 274.388 4 ↓

Analogs

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Popular Name: 2-isopropyl-1-[[(3S)-tetrahydropyran-3-yl]methyl]benzimidazol-5-amine 2-isopropyl-1-[[(3S)-tetrahydrop…

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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) 2.45 6.11 -10.79 2 4 0 53 273.38 3 ↓
Mid Mid (pH 6-8) 2.45 6.57 -25.73 3 4 1 54 274.388 3 ↓

Analogs

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Popular Name: 2-isopropyl-1-[[(3R)-tetrahydropyran-3-yl]methyl]benzimidazol-5-amine 2-isopropyl-1-[[(3R)-tetrahydrop…

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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) 2.45 6.27 -10.81 2 4 0 53 273.38 3 ↓
Mid Mid (pH 6-8) 2.45 6.84 -25.51 3 4 1 54 274.388 3 ↓

Analogs

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Popular Name: 2-tert-butyl-1-[[(3S)-tetrahydropyran-3-yl]methyl]benzimidazol-5-amine 2-tert-butyl-1-[[(3S)-tetrahydro…

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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) 3.12 6.16 -10.87 2 4 0 53 287.407 3 ↓
Mid Mid (pH 6-8) 3.12 6.58 -24.44 3 4 1 54 288.415 3 ↓

Analogs

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Popular Name: 2-tert-butyl-1-[[(3R)-tetrahydropyran-3-yl]methyl]benzimidazol-5-amine 2-tert-butyl-1-[[(3R)-tetrahydro…

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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) 3.12 6.18 -10.86 2 4 0 53 287.407 3 ↓
Mid Mid (pH 6-8) 3.12 6.57 -24.41 3 4 1 54 288.415 3 ↓

Analogs

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Popular Name: 1-[[(3S)-tetrahydropyran-3-yl]methyl]-2-(trifluoromethyl)benzimidazol-5-amine 1-[[(3S)-tetrahydropyran-3-yl]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) 2.31 5.25 -9.98 2 4 0 53 299.296 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(3R)-tetrahydropyran-3-yl]methyl]-2-(trifluoromethyl)benzimidazol-5-amine 1-[[(3R)-tetrahydropyran-3-yl]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) 2.31 5.31 -9.94 2 4 0 53 299.296 3 ↓

Parameters Provided:

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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 = 28402 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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