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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-isopropyl-2-[(1S)-1-methyl-2-(2-pyridyl)ethyl]benzimidazole 1-isopropyl-2-[(1S)-1-methyl-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) 3.48 9.79 -8.34 0 3 0 31 279.387 4 ↓
Mid Mid (pH 6-8) 3.48 10.35 -25.34 1 3 1 32 280.395 4 ↓
Lo Low (pH 4.5-6) 3.48 10.79 -83.48 2 3 2 33 281.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isopropyl-2-[(1R)-1-methyl-2-(2-pyridyl)ethyl]benzimidazole 1-isopropyl-2-[(1R)-1-methyl-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) 3.48 10.37 -9.49 0 3 0 31 279.387 4 ↓
Mid Mid (pH 6-8) 3.48 10.93 -24.6 1 3 1 32 280.395 4 ↓
Lo Low (pH 4.5-6) 3.48 10.6 -83.38 2 3 2 33 281.403 4 ↓

Analogs

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Popular Name: methyl 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) 2.56 8.9 -15.58 0 5 0 57 295.342 5 ↓
Lo Low (pH 4.5-6) 2.56 9.26 -46.76 1 5 1 58 296.35 5 ↓
Lo Low (pH 4.5-6) 2.56 9.31 -33.54 1 5 1 58 296.35 5 ↓

Parameters Provided:

ring.id = 38740
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 = 38740 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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