UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

21818718
21818718
21818720
21818720
31994373
31994373
31994375
31994375
36975591
36975591

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Popular Name: (3S)-N-[(1R)-1-(4-chlorophenyl)-2-phenyl-ethyl]quinuclidin-3-amine (3S)-N-[(1R)-1-(4-chlorophenyl)-…

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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) 4.81 11.79 -33.05 2 2 1 16 341.906 5 ↓

Analogs

21818718
21818718
21818720
21818720
31994373
31994373
31994375
31994375
36975591
36975591

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(1S)-1-(4-chlorophenyl)-2-phenyl-ethyl]quinuclidin-3-amine (3S)-N-[(1S)-1-(4-chlorophenyl)-…

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) 4.81 12.04 -34.14 2 2 1 16 341.906 5 ↓

Analogs

21818718
21818718
21818720
21818720
36975591
36975591
36975595
36975595
36975597
36975597

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1R)-1-(4-chlorophenyl)-2-phenyl-ethyl]quinuclidin-3-amine (3R)-N-[(1R)-1-(4-chlorophenyl)-…

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) 4.81 12.01 -35.49 2 2 1 16 341.906 5 ↓

Analogs

21818718
21818718
21818720
21818720
31994373
31994373
31994375
31994375
36975591
36975591

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(1S)-1-(4-chlorophenyl)-2-phenyl-ethyl]quinuclidin-3-amine (3R)-N-[(1S)-1-(4-chlorophenyl)-…

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) 4.81 11.68 -35.84 2 2 1 16 341.906 5 ↓

Parameters Provided:

ring.id = 71399
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 = 71399 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=71399&filter.purchasability=annotated

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