UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[cyclopentyl(isopropyl)amino]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone 2-[cyclopentyl(isopropyl)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) 4.01 10.08 -38.79 1 4 1 34 331.48 5 ↓
Hi High (pH 8-9.5) 4.01 8.11 -9.84 0 4 0 33 330.472 5 ↓

Analogs

48708814
48708814
48718926
48718926
48719642
48719642
48721512
48721512
48757473
48757473

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Popular Name: 2-(cyclopentylamino)-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone 2-(cyclopentylamino)-1-(8-methox…

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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) 3.07 9.09 -42.35 2 4 1 46 289.399 4 ↓
Hi High (pH 8-9.5) 3.07 7.91 -9.22 1 4 0 42 288.391 4 ↓

Parameters Provided:

ring.id = 414803
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 = 414803 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=414803&filter.purchasability=annotated

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