UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11814259
11814259
12594290
12594290
12594291
12594291

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Popular Name: 1-[(5S)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-4,4,4-trifluoro-butan-1-one 1-[(5S)-9-(cyclohexylmethyl)-2,9…

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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) 4.05 2.81 -42.44 1 3 1 25 361.472 5 ↓

Analogs

12594290
12594290
12594291
12594291
11814258
11814258

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-4,4,4-trifluoro-butan-1-one 1-[(5R)-9-(cyclohexylmethyl)-2,9…

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) 4.05 2.96 -43.03 1 3 1 25 361.472 5 ↓

Parameters Provided:

ring.id = 47247
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 = 47247 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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