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

Analogs

44685543
44685543
44685546
44685546

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-pyrrolidin-1-ylethylamino)methyl]quinolin-2-ol 3-[(2-pyrrolidin-1-ylethylamino)…

Find On: PubMed — Wikipedia — Google

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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) 1.08 3.31 -42.01 3 4 1 53 272.372 5 ↓
Mid Mid (pH 6-8) 1.08 4.31 -41.49 3 4 1 49 272.372 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-fluoro-3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1H-quinolin-2-one 7-fluoro-3-[[methyl(2-pyrrolidin…

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) 1.47 6.33 -38.31 2 4 1 41 304.389 5 ↓
Hi High (pH 8-9.5) 1.47 6.23 -42.06 2 4 1 41 304.389 5 ↓
Hi High (pH 8-9.5) 1.47 3.88 -10.4 1 4 0 39 303.381 5 ↓

Parameters Provided:

ring.id = 24854
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 = 24854 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=24854&filter.purchasability=annotated

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