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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-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-5-amine 1-[2-(1-methylimidazol-2-yl)ethy…

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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) 0.52 7.15 -42.17 3 5 1 63 242.306 3 ↓
Mid Mid (pH 6-8) 0.52 7.2 -35.91 3 5 1 63 242.306 3 ↓
Mid Mid (pH 6-8) 0.52 7.64 -88.82 4 5 2 64 243.314 3 ↓

Analogs

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

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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) 0.60 6.96 -43.35 3 5 1 63 256.333 3 ↓
Mid Mid (pH 6-8) 0.60 7.4 -83.72 4 5 2 64 257.341 3 ↓
Mid Mid (pH 6-8) 0.60 6.92 -35.14 3 5 1 63 256.333 3 ↓

Analogs

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Popular Name: 2-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-5-amine 2-ethyl-1-[2-(1-methylimidazol-2…

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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 7.56 -43.3 3 5 1 63 270.36 4 ↓
Mid Mid (pH 6-8) 1.18 7.86 -82.17 4 5 2 64 271.368 4 ↓
Mid Mid (pH 6-8) 1.18 7.08 -14.26 2 5 0 62 269.352 4 ↓

Analogs

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Popular Name: 1-[2-(1-methylimidazol-2-yl)ethyl]-2-propyl-benzimidazol-5-amine 1-[2-(1-methylimidazol-2-yl)ethy…

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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) 1.68 8.34 -43.43 3 5 1 63 284.387 5 ↓
Mid Mid (pH 6-8) 1.68 7.86 -13.94 2 5 0 62 283.379 5 ↓
Mid Mid (pH 6-8) 1.68 8.2 -32.65 3 5 1 63 284.387 5 ↓

Analogs

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Popular Name: 2-isopropyl-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-5-amine 2-isopropyl-1-[2-(1-methylimidaz…

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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 7.99 -43.05 3 5 1 63 284.387 4 ↓
Mid Mid (pH 6-8) 1.66 8.02 -31.16 3 5 1 63 284.387 4 ↓
Mid Mid (pH 6-8) 1.66 8.45 -81.38 4 5 2 64 285.395 4 ↓

Parameters Provided:

ring.id = 28434
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 = 28434 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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