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

Analogs

39263005
39263005
39263575
39263575

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Popular Name: N-methyl-2-phenylsulfanyl-N-[2-(2-pyridyl)ethyl]pyridine-3-carboxamide N-methyl-2-phenylsulfanyl-N-[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) 2.72 9.86 -17.24 0 4 0 46 349.459 6 ↓
Lo Low (pH 4.5-6) 2.72 10.22 -40.69 1 4 1 47 350.467 6 ↓

Analogs

39262909
39262909
22507828
22507828
12745102
12745102

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Popular Name: N-methyl-2-(p-tolylsulfanyl)-N-[2-(2-pyridyl)ethyl]pyridine-3-carboxamide N-methyl-2-(p-tolylsulfanyl)-N-[…

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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) 3.17 10.54 -13.82 0 4 0 46 363.486 6 ↓
Lo Low (pH 4.5-6) 3.17 10.9 -37.88 1 4 1 47 364.494 6 ↓

Analogs

39262909
39262909
22507828
22507828
12753080
12753080
4300662
4300662

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,5-dimethoxyphenyl)sulfanyl-N-methyl-N-[2-(2-pyridyl)ethyl]pyridine-3-carboxamide 2-(2,5-dimethoxyphenyl)sulfanyl-…

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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) 2.76 8.5 -21.08 0 6 0 65 409.511 8 ↓
Lo Low (pH 4.5-6) 2.76 8.85 -43.76 1 6 1 66 410.519 8 ↓

Parameters Provided:

ring.id = 417607
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 = 417607 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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