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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-[(3-methylisoxazol-5-yl)methyl]benzimidazol-5-amine 1-[(3-methylisoxazol-5-yl)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) 1.09 5.36 -15.5 2 5 0 70 228.255 2 ↓
Mid Mid (pH 6-8) 1.09 5.85 -41.97 3 5 1 71 229.263 2 ↓

Analogs

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

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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) 1.18 5.14 -15.99 2 5 0 70 242.282 2 ↓
Mid Mid (pH 6-8) 1.18 5.58 -36.41 3 5 1 71 243.29 2 ↓

Analogs

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Popular Name: 2-ethyl-1-[(3-methylisoxazol-5-yl)methyl]benzimidazol-5-amine 2-ethyl-1-[(3-methylisoxazol-5-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) 1.75 5.78 -14.31 2 5 0 70 256.309 3 ↓
Mid Mid (pH 6-8) 1.75 6.11 -31.37 3 5 1 71 257.317 3 ↓

Analogs

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Popular Name: 1-[(3-methylisoxazol-5-yl)methyl]-2-propyl-benzimidazol-5-amine 1-[(3-methylisoxazol-5-yl)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) 2.25 6.56 -14.03 2 5 0 70 270.336 4 ↓
Mid Mid (pH 6-8) 2.25 6.89 -31.42 3 5 1 71 271.344 4 ↓

Analogs

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

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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 6.2 -13.98 2 5 0 70 270.336 3 ↓
Mid Mid (pH 6-8) 2.23 6.71 -29.73 3 5 1 71 271.344 3 ↓

Analogs

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Popular Name: 2-tert-butyl-1-[(3-methylisoxazol-5-yl)methyl]benzimidazol-5-amine 2-tert-butyl-1-[(3-methylisoxazo…

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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) 2.90 6.41 -13.46 2 5 0 70 284.363 3 ↓
Mid Mid (pH 6-8) 2.90 6.8 -28.55 3 5 1 71 285.371 3 ↓

Analogs

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Popular Name: 1-[(3-methylisoxazol-5-yl)methyl]-2-(trifluoromethyl)benzimidazol-5-amine 1-[(3-methylisoxazol-5-yl)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) 2.09 5.37 -15.36 2 5 0 70 296.252 3 ↓

Analogs

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Popular Name: 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(2,2,2-trifluoroethyl)isoxazole-3-carboxamide 5-[(2-methylbenzimidazol-1-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) 2.26 1.44 -14.3 1 6 0 73 338.289 5 ↓

Analogs

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Popular Name: N-(2-acetamidoethyl)-5-[(2-methylbenzimidazol-1-yl)methyl]isoxazole-3-carboxamide N-(2-acetamidoethyl)-5-[(2-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) 0.48 -2.73 -20.11 2 8 0 102 341.371 6 ↓

Analogs

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Popular Name: N-isopropyl-5-[(2-methylbenzimidazol-1-yl)methyl]isoxazole-3-carboxamide N-isopropyl-5-[(2-methylbenzimid…

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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) 2.01 0.05 -14.66 1 6 0 73 298.346 4 ↓

Analogs

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Popular Name: 1-[(3-methylisoxazol-5-yl)methyl]benzimidazole-5-carboxylic 1-[(3-methylisoxazol-5-yl)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) 1.92 7.52 -64.54 0 6 -1 84 256.241 3 ↓
Mid Mid (pH 6-8) 1.92 7.96 -78.29 1 6 0 85 257.249 3 ↓

Analogs

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Popular Name: 1-[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]isoxazol-3-yl]-N-methyl-methanamine 1-[5-[(5,6-dimethylbenzimidazol-…

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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 7.99 -53.39 2 5 1 60 271.344 4 ↓
Hi High (pH 8-9.5) 2.42 6.53 -15.19 1 5 0 56 270.336 4 ↓
Mid Mid (pH 6-8) 2.42 8.46 -98.55 3 5 2 62 272.352 4 ↓

Analogs

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Popular Name: N-[[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]isoxazol-3-yl]methyl]ethanamine N-[[5-[(5,6-dimethylbenzimidazol…

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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) 2.79 8.83 -52.45 2 5 1 60 285.371 5 ↓
Hi High (pH 8-9.5) 2.79 7.45 -13.39 1 5 0 56 284.363 5 ↓
Mid Mid (pH 6-8) 2.79 9.3 -98.35 3 5 2 62 286.379 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(5,6-dimethylbenzimidazol-1-yl)methyl]isoxazol-3-yl]methanamine [5-[(5,6-dimethylbenzimidazol-1-…

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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) 2.04 6.11 -58.99 3 5 1 72 257.317 3 ↓
Hi High (pH 8-9.5) 2.04 5.71 -13.97 2 5 0 70 256.309 3 ↓
Mid Mid (pH 6-8) 2.04 6.59 -103.71 4 5 2 73 258.325 3 ↓

Analogs

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Popular Name: 1-[5-(benzimidazol-1-ylmethyl)isoxazol-3-yl]-N-methyl-methanamine 1-[5-(benzimidazol-1-ylmethyl)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) 1.61 6.76 -53.21 2 5 1 60 243.29 4 ↓
Hi High (pH 8-9.5) 1.61 5.3 -13.38 1 5 0 56 242.282 4 ↓
Lo Low (pH 4.5-6) 1.61 7.23 -98.17 3 5 2 62 244.298 4 ↓

Analogs

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Popular Name: N-[[5-(benzimidazol-1-ylmethyl)isoxazol-3-yl]methyl]ethanamine N-[[5-(benzimidazol-1-ylmethyl)i…

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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) 1.99 7.62 -52.34 2 5 1 60 257.317 5 ↓
Hi High (pH 8-9.5) 1.99 6.24 -13.15 1 5 0 56 256.309 5 ↓
Lo Low (pH 4.5-6) 1.99 8.09 -97.97 3 5 2 62 258.325 5 ↓

Analogs

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Popular Name: N-[[5-(benzimidazol-1-ylmethyl)isoxazol-3-yl]methyl]propan-1-amine N-[[5-(benzimidazol-1-ylmethyl)i…

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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) 2.49 8.36 -53.31 2 5 1 60 271.344 6 ↓
Lo Low (pH 4.5-6) 2.49 8.85 -99.38 3 5 2 62 272.352 6 ↓

Analogs

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Popular Name: N-[[5-(benzimidazol-1-ylmethyl)isoxazol-3-yl]methyl]propan-2-amine N-[[5-(benzimidazol-1-ylmethyl)i…

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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) 2.29 8.14 -51.08 2 5 1 60 271.344 5 ↓
Hi High (pH 8-9.5) 2.29 6.94 -12.97 1 5 0 56 270.336 5 ↓
Lo Low (pH 4.5-6) 2.29 8.62 -96.17 3 5 2 62 272.352 5 ↓

Analogs

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Popular Name: N-[[5-(benzimidazol-1-ylmethyl)isoxazol-3-yl]methyl]-2-methyl-propan-2-amine N-[[5-(benzimidazol-1-ylmethyl)i…

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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) 2.80 8.57 -48.73 2 5 1 60 285.371 5 ↓
Hi High (pH 8-9.5) 2.80 7.33 -12.8 1 5 0 56 284.363 5 ↓
Lo Low (pH 4.5-6) 2.80 9.04 -95.24 3 5 2 62 286.379 5 ↓

Analogs

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Popular Name: N-[[5-(benzimidazol-1-ylmethyl)isoxazol-3-yl]methyl]-2-methyl-propan-1-amine N-[[5-(benzimidazol-1-ylmethyl)i…

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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) 2.74 9.06 -53.09 2 5 1 60 285.371 6 ↓
Lo Low (pH 4.5-6) 2.74 9.54 -99.59 3 5 2 62 286.379 6 ↓

Analogs

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Popular Name: [5-(benzimidazol-1-ylmethyl)isoxazol-3-yl]methanamine [5-(benzimidazol-1-ylmethyl)isox…

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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) 1.24 4.88 -58.89 3 5 1 72 229.263 3 ↓
Hi High (pH 8-9.5) 1.24 4.48 -13.8 2 5 0 70 228.255 3 ↓
Lo Low (pH 4.5-6) 1.24 5.36 -103.3 4 5 2 73 230.271 3 ↓

Analogs

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Popular Name: 5-[(2-ethylbenzimidazol-1-yl)methyl]isoxazole-3-carboxylic 5-[(2-ethylbenzimidazol-1-yl)met…

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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) 2.29 7.86 -50.75 0 6 -1 84 270.268 4 ↓
Mid Mid (pH 6-8) 2.29 8.18 -57.8 1 6 0 85 271.276 4 ↓

Analogs

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Popular Name: 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(2-methylsulfonylethyl)isoxazole-3-carboxamide 5-[(2-methylbenzimidazol-1-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) 0.74 3.26 -25.71 1 8 0 107 362.411 6 ↓
Lo Low (pH 4.5-6) 0.74 3.7 -47.69 2 8 1 108 363.419 6 ↓

Parameters Provided:

ring.id = 28454
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 = 28454 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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