UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11843261
11843261
12467069
12467069
12467073
12467073
39635327
39635327
39635328
39635328

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Popular Name: (5R)-7-(2-cyclohexylethyl)-3-(pyridine-3-carbonyl)-3,7-diazaspiro[4.5]decan-6-one (5R)-7-(2-cyclohexylethyl)-3-(py…

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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) 2.37 -1.02 -16.2 0 5 0 54 369.509 4 ↓

Analogs

12467069
12467069
12467073
12467073
39635327
39635327
39635328
39635328
39635994
39635994

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Popular Name: (5S)-7-(2-cyclohexylethyl)-3-(pyridine-3-carbonyl)-3,7-diazaspiro[4.5]decan-6-one (5S)-7-(2-cyclohexylethyl)-3-(py…

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) 2.37 -0.7 -19.44 0 5 0 54 369.509 4 ↓

Parameters Provided:

ring.id = 60447
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 = 60447 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=60447&filter.purchasability=annotated

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