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

Analogs

8440115
8440115
8440123
8440123
8440128
8440128
8440132
8440132
4386922
4386922

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-methoxyphenyl)-2-methyl-5-oxo-N-(2-pyridyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide 4-(3-methoxyphenyl)-2-methyl-5-o…

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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) 3.55 9.21 -20.43 2 6 0 80 389.455 4 ↓
Lo Low (pH 4.5-6) 3.69 -2.08 -14.74 1 6 0 80 389.455 4 ↓

Analogs

8440115
8440115
8440123
8440123
8440128
8440128
8440132
8440132
4386922
4386922

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-methoxyphenyl)-2-methyl-5-oxo-N-(2-pyridyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide 4-(3-methoxyphenyl)-2-methyl-5-o…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.55 9.23 -20.7 2 6 0 80 389.455 4 ↓
Lo Low (pH 4.5-6) 3.69 -1.96 -14.91 1 6 0 80 389.455 4 ↓

Analogs

688479
688479

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-(6-methylpyridin-2-yl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide 2-methyl-N-(6-methylpyridin-2-yl…

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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) 3.20 9.74 -31.98 2 8 0 99 463.534 6 ↓
Mid Mid (pH 6-8) 3.34 9.01 -17.26 1 8 0 99 463.534 6 ↓
Lo Low (pH 4.5-6) 3.34 8.8 -31.56 2 8 1 100 464.542 6 ↓

Parameters Provided:

ring.id = 2105
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 = 2105 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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