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

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-5-amine 1-[(3-methyl-1,2,4-oxadiazol-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) 0.22 3.07 -14.1 2 6 0 83 229.243 2 ↓
Mid Mid (pH 6-8) 0.22 3.56 -38.6 3 6 1 84 230.251 2 ↓

Analogs

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Popular Name: 2-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-5-amine 2-methyl-1-[(3-methyl-1,2,4-oxad…

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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) 0.31 2.85 -14.03 2 6 0 83 243.27 2 ↓
Mid Mid (pH 6-8) 0.31 3.28 -33.02 3 6 1 84 244.278 2 ↓

Analogs

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Popular Name: 2-ethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-5-amine 2-ethyl-1-[(3-methyl-1,2,4-oxadi…

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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) 0.88 3.48 -13.31 2 6 0 83 257.297 3 ↓
Mid Mid (pH 6-8) 0.88 3.81 -31.81 3 6 1 84 258.305 3 ↓

Analogs

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Popular Name: 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propyl-benzimidazol-5-amine 1-[(3-methyl-1,2,4-oxadiazol-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) 1.39 4.26 -12.99 2 6 0 83 271.324 4 ↓
Mid Mid (pH 6-8) 1.39 4.59 -31.84 3 6 1 84 272.332 4 ↓

Analogs

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Popular Name: 2-isopropyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-5-amine 2-isopropyl-1-[(3-methyl-1,2,4-o…

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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) 1.37 3.91 -13.09 2 6 0 83 271.324 3 ↓
Mid Mid (pH 6-8) 1.37 4.41 -29.82 3 6 1 84 272.332 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-tert-butyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-5-amine 2-tert-butyl-1-[(3-methyl-1,2,4-…

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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 4.12 -12.54 2 6 0 83 285.351 3 ↓
Mid Mid (pH 6-8) 2.04 4.51 -27.99 3 6 1 84 286.359 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(trifluoromethyl)benzimidazol-5-amine 1-[(3-methyl-1,2,4-oxadiazol-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) 1.23 3.04 -12.55 2 6 0 83 297.24 3 ↓

Analogs

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Popular Name: 1-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylsulfonyl-benzimidazole 1-[(3-isopropyl-1,2,4-oxadiazol-…

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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) 2.02 3.84 -20.97 0 7 0 91 320.374 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylsulfonyl-benzimidazole 1-[(3-ethyl-1,2,4-oxadiazol-5-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) 1.54 3.18 -15.11 0 7 0 91 306.347 4 ↓

Analogs

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Popular Name: 1-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-2-methylsulfonyl-benzimidazole 1-[(3-isobutyl-1,2,4-oxadiazol-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) 2.29 4.74 -20.33 0 7 0 91 334.401 5 ↓

Analogs

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Popular Name: 2-[5-[(2-ethylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine 2-[5-[(2-ethylbenzimidazol-1-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) 2.04 3.94 -51.63 3 6 1 84 286.359 4 ↓
Hi High (pH 8-9.5) 2.04 3.69 -11.13 2 6 0 83 285.351 4 ↓
Mid Mid (pH 6-8) 2.04 4.26 -86.39 4 6 2 86 287.367 4 ↓

Analogs

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Popular Name: (2R)-1-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-2-yl]amino]propan-2-ol (2R)-1-[[1-[(3-ethyl-1,2,4-oxadi…

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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) 1.65 4.95 -31.32 3 7 1 90 302.358 6 ↓
Mid Mid (pH 6-8) 1.65 4.52 -12.39 2 7 0 89 301.35 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-2-yl]amino]propan-2-ol (2S)-1-[[1-[(3-ethyl-1,2,4-oxadi…

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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) 1.65 4.9 -30.11 3 7 1 90 302.358 6 ↓
Mid Mid (pH 6-8) 1.65 4.47 -12.3 2 7 0 89 301.35 6 ↓

Analogs

43402384
43402384

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(benzimidazol-1-ylmethyl)-3-butyl-1,2,4-oxadiazole 5-(benzimidazol-1-ylmethyl)-3-bu…

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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) 2.81 7.38 -12.69 0 5 0 57 256.309 5 ↓
Lo Low (pH 4.5-6) 2.81 7.86 -38.77 1 5 1 58 257.317 5 ↓

Parameters Provided:

ring.id = 28450
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 = 28450 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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