UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

37810099
37810099
37817680
37817680
37824861
37824861
35766305
35766305

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Popular Name: N-cyclopentyl-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide N-cyclopentyl-N-methyl-1,2,3,4-t…

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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) 2.65 7.14 -9.67 1 3 0 32 258.365 2 ↓

Analogs

35766305
35766305
37092798
37092798
37323091
37323091
37323111
37323111
37322933
37322933

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Popular Name: N-allyl-N-cyclopentyl-1,2,3,4-tetrahydroquinoline-6-carboxamide N-allyl-N-cyclopentyl-1,2,3,4-te…

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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) 3.29 8.55 -8.53 1 3 0 32 284.403 4 ↓

Analogs

37092798
37092798
35766305
35766305
37322935
37322935
37322933
37322933
37323111
37323111

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-N-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide N-cyclopentyl-N-(2-hydroxyethyl)…

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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) 2.02 4.72 -9.59 2 4 0 53 288.391 4 ↓

Parameters Provided:

ring.id = 144680
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 = 144680 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=144680&filter.purchasability=annotated

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