UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

48279182
48279182
48287817
48287817
48289292
48289292
48300405
48300405
48300456
48300456

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Popular Name: 6-(4-amino-1-piperidyl)-7-nitro-3,4-dihydro-1H-quinolin-2-one 6-(4-amino-1-piperidyl)-7-nitro-…

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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) 0.86 4.97 -59.42 4 7 1 106 291.331 2 ↓

Analogs

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Popular Name: 7-amino-6-(4-ethyl-4-methyl-1-piperidyl)-3,4-dihydro-1H-quinolin-2-one 7-amino-6-(4-ethyl-4-methyl-1-pi…

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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) 3.01 6.24 -5.51 3 4 0 58 287.407 2 ↓
Mid Mid (pH 6-8) 3.01 6.34 -39.03 4 4 1 60 288.415 2 ↓

Parameters Provided:

ring.id = 110698
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 = 110698 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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