UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12029979
12029979
37861303
37861303
37861304
37861304

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Popular Name: 1-[(2S)-2-(2-hydroxyethyl)-1-piperidyl]-2,2-diphenyl-ethanone 1-[(2S)-2-(2-hydroxyethyl)-1-pip…

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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) 3.39 -1.39 -11.22 1 3 0 41 323.436 5 ↓

Analogs

37861303
37861303
37861304
37861304
12029976
12029976

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-2-(2-hydroxyethyl)-1-piperidyl]-2,2-diphenyl-ethanone 1-[(2R)-2-(2-hydroxyethyl)-1-pip…

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) 3.39 -1.36 -11.62 1 3 0 41 323.436 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-ethoxy-1-piperidyl]-2,2-diphenyl-ethanone 1-[(3R)-3-ethoxy-1-piperidyl]-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) 3.60 10.33 -9.7 0 3 0 30 323.436 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3S)-3-ethoxy-1-piperidyl]-2,2-diphenyl-ethanone 1-[(3S)-3-ethoxy-1-piperidyl]-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) 3.60 10.42 -9.85 0 3 0 30 323.436 5 ↓

Parameters Provided:

ring.id = 79983
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 = 79983 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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