UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11815729
11815729
15001959
15001959
15001962
15001962
39380038
39380038

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Popular Name: (3S)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-3-[2-oxo-2-[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]o (3S)-1-(2-methoxyethyl)-3-(2-met…

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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) 2.69 2.72 -16.07 0 7 0 76 456.583 7 ↓

Analogs

15001959
15001959
15001962
15001962
39380038
39380038
11815728
11815728

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-(2-methoxyethyl)-3-(2-methoxyphenyl)-3-[2-oxo-2-[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]o (3R)-1-(2-methoxyethyl)-3-(2-met…

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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) 2.69 11.47 -16.27 0 7 0 76 456.583 7 ↓

Analogs

39360112
39360112

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Popular Name: (3R)-3-(3-fluorophenyl)-1-methyl-3-[2-oxo-2-[(1S,5R)-3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl]e (3R)-3-(3-fluorophenyl)-1-methyl…

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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) 2.84 11.9 -15.49 0 5 0 58 400.494 3 ↓

Parameters Provided:

ring.id = 48331
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 = 48331 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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