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

Analogs

4847502
4847502

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropyl-4-(3-pyridylmethylthio)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine 2-isopropyl-4-(3-pyridylmethylth…

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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) 4.70 -1.6 -8.52 0 3 0 38 355.532 4 ↓

Analogs

4056272
4056272
98869
98869

Draw Identity 99% 90% 80% 70%

Popular Name: methyl-(3-pyridylmethylsulfanyl)BLAH methyl-(3-pyridylmethylsulfanyl)…

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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) 4.03 -1.42 -7.92 0 3 0 38 327.478 3 ↓
Lo Low (pH 4.5-6) 4.03 -1.31 -39.61 1 3 1 39 328.486 3 ↓

Parameters Provided:

ring.id = 225297
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 = 225297 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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