UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13008058
13008058

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Popular Name: N'-[(2S)-2-(1-methylindolin-5-yl)-2-(1-piperidyl)ethyl]-N-(2-methyl-4-quinolyl)oxamide N'-[(2S)-2-(1-methylindolin-5-yl…

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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) 3.67 10.14 -45.81 3 7 1 82 472.613 5 ↓
Hi High (pH 8-9.5) 3.67 7.61 -20.98 2 7 0 81 471.605 5 ↓
Hi High (pH 8-9.5) 3.49 10.83 -44.39 3 7 1 79 472.613 6 ↓

Analogs

13008057
13008057

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Popular Name: N'-[(2R)-2-(1-methylindolin-5-yl)-2-(1-piperidyl)ethyl]-N-(2-methyl-4-quinolyl)oxamide N'-[(2R)-2-(1-methylindolin-5-yl…

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) 3.67 10.16 -46.23 3 7 1 82 472.613 5 ↓
Hi High (pH 8-9.5) 3.67 8.27 -20.73 2 7 0 81 471.605 5 ↓
Lo Low (pH 4.5-6) 3.67 11.12 -77.34 4 7 2 84 473.621 5 ↓

Parameters Provided:

ring.id = 108505
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 = 108505 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=108505&filter.purchasability=annotated

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