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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

45274597
45274597

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Popular Name: [2-(benzyl-tert-butyl-amino)-2-oxo-ethyl] [2-(benzyl-tert-butyl-amino)-2-o…

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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) 2.31 11.62 -14.39 0 7 0 84 412.486 8 ↓

Analogs

14242908
14242908
11677996
11677996
11678002
11678002

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Popular Name: [(1S)-2-(benzylamino)-1-methyl-2-oxo-ethyl] [(1S)-2-(benzylamino)-1-methyl-2…

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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) 2.88 11.77 -13.62 1 7 0 93 426.513 9 ↓

Analogs

14242907
14242907
11677996
11677996
11678002
11678002

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-(benzylamino)-1-methyl-2-oxo-ethyl] [(1S)-2-(benzylamino)-1-methyl-2…

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) 2.88 11.7 -13.37 1 7 0 93 426.513 9 ↓

Parameters Provided:

ring.id = 114424
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 = 114424 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=114424&filter.purchasability=annotated

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