UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(1-acetyl-4-piperidyl)amino]-6-chloro-quinoline-4-carbonitrile 2-[(1-acetyl-4-piperidyl)amino]-…

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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) 2.56 7.52 -13.32 1 5 0 69 328.803 2 ↓

Analogs

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Popular Name: 2-[methyl-(1-methyl-4-piperidyl)amino]quinoline-3-carbonitrile 2-[methyl-(1-methyl-4-piperidyl)…

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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) 2.49 9.98 -36.84 1 4 1 44 281.383 2 ↓

Analogs

37995954
37995954

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Popular Name: N-(1-methyl-4-piperidyl)quinolin-2-amine N-(1-methyl-4-piperidyl)quinolin…

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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) 2.56 7.76 -43.09 2 3 1 29 242.346 2 ↓
Mid Mid (pH 6-8) 2.56 8.2 -83.82 3 3 2 31 243.354 2 ↓

Analogs

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Popular Name: N2-(1-propyl-4-piperidyl)quinoline-2,6-diamine N2-(1-propyl-4-piperidyl)quinoli…

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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) 2.49 7.03 -42.31 4 4 1 55 285.415 4 ↓
Mid Mid (pH 6-8) 2.49 7.48 -84.47 5 4 2 57 286.423 4 ↓

Parameters Provided:

ring.id = 451746
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 = 451746 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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