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

Analogs

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Popular Name: 1-(3-imidazol-1-ylpropyl)benzimidazol-5-amine 1-(3-imidazol-1-ylpropyl)benzimi…

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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) 0.50 7.95 -17.16 2 5 0 62 241.298 4 ↓
Mid Mid (pH 6-8) 0.50 8.44 -42.09 3 5 1 63 242.306 4 ↓
Mid Mid (pH 6-8) 0.50 8.46 -44.78 3 5 1 63 242.306 4 ↓

Analogs

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Popular Name: 1-(3-imidazol-1-ylpropyl)-2-methyl-benzimidazol-5-amine 1-(3-imidazol-1-ylpropyl)-2-meth…

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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) 0.59 7.75 -17.65 2 5 0 62 255.325 4 ↓
Mid Mid (pH 6-8) 0.59 8.27 -45.63 3 5 1 63 256.333 4 ↓
Mid Mid (pH 6-8) 0.59 8.19 -37.39 3 5 1 63 256.333 4 ↓

Analogs

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Popular Name: 2-ethyl-1-(3-imidazol-1-ylpropyl)benzimidazol-5-amine 2-ethyl-1-(3-imidazol-1-ylpropyl…

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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) 1.16 8.36 -17.33 2 5 0 62 269.352 5 ↓
Mid Mid (pH 6-8) 1.16 9.16 -79.77 4 5 2 64 271.368 5 ↓
Mid Mid (pH 6-8) 1.16 8.87 -45.61 3 5 1 63 270.36 5 ↓

Analogs

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Popular Name: 1-(3-imidazol-1-ylpropyl)-2-propyl-benzimidazol-5-amine 1-(3-imidazol-1-ylpropyl)-2-prop…

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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) 1.66 9.14 -17.03 2 5 0 62 283.379 6 ↓
Mid Mid (pH 6-8) 1.66 9.94 -80.22 4 5 2 64 285.395 6 ↓
Mid Mid (pH 6-8) 1.66 9.65 -45.64 3 5 1 63 284.387 6 ↓

Analogs

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Popular Name: 1-(3-imidazol-1-ylpropyl)-2-isopropyl-benzimidazol-5-amine 1-(3-imidazol-1-ylpropyl)-2-isop…

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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 8.79 -16.93 2 5 0 62 283.379 5 ↓
Mid Mid (pH 6-8) 1.65 9.25 -34.64 3 5 1 63 284.387 5 ↓
Mid Mid (pH 6-8) 1.65 9.3 -45.35 3 5 1 63 284.387 5 ↓

Parameters Provided:

ring.id = 28027
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 = 28027 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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