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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: 2-[[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]pyrimidine-5-ca 2-[[1-(4-ethoxyphenyl)benzimidaz…

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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) 3.71 11.38 -63.64 1 9 -1 126 475.506 7 ↓
Mid Mid (pH 6-8) 4.17 8.92 -131.5 0 9 -2 129 474.498 7 ↓
Lo Low (pH 4.5-6) 3.71 11.84 -80.17 2 9 0 127 476.514 7 ↓

Analogs

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Popular Name: 6-methyl-4-oxo-2-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]-3H-furo[5,4-d]pyrimidine-5-carboxylic 6-methyl-4-oxo-2-[(1-phenylbenzi…

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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) 3.28 11.22 -63.87 1 8 -1 117 431.453 5 ↓
Mid Mid (pH 6-8) 3.73 8.76 -132.56 0 8 -2 120 430.445 5 ↓
Lo Low (pH 4.5-6) 3.28 11.68 -78.94 2 8 0 118 432.461 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylmethyl]-6-methyl-4-oxo-3H-furo[5,4-d]pyrimidine-5-c 2-[[1-(4-methoxyphenyl)benzimida…

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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) 3.33 10.52 -63.82 1 9 -1 126 461.479 6 ↓
Mid Mid (pH 6-8) 3.79 8.05 -132 0 9 -2 129 460.471 6 ↓
Lo Low (pH 4.5-6) 3.33 10.98 -80.38 2 9 0 127 462.487 6 ↓

Parameters Provided:

ring.id = 118953
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 = 118953 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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