UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12038907
12038907
12038911
12038911
12038913
12038913

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-chloro-4-methoxy-phenyl)-6-[[(1R)-1-cyclohex-3-enyl]methyl]-6-azaspiro[2.5]octane-2-carbox (2R)-N-(3-chloro-4-methoxy-pheny…

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) 4.69 0.58 -52.01 2 4 1 43 389.947 5 ↓

Analogs

12038911
12038911
12038913
12038913
12038904
12038904

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-chloro-4-methoxy-phenyl)-6-[[(1R)-1-cyclohex-3-enyl]methyl]-6-azaspiro[2.5]octane-2-carbox (2S)-N-(3-chloro-4-methoxy-pheny…

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) 4.69 0.62 -51.11 2 4 1 43 389.947 5 ↓

Analogs

12038913
12038913
12038904
12038904
12038907
12038907

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-chloro-4-methoxy-phenyl)-6-[[(1S)-1-cyclohex-3-enyl]methyl]-6-azaspiro[2.5]octane-2-carbox (2R)-N-(3-chloro-4-methoxy-pheny…

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) 4.69 0.64 -51.2 2 4 1 43 389.947 5 ↓

Analogs

12038904
12038904
12038907
12038907
12038911
12038911

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-chloro-4-methoxy-phenyl)-6-[[(1S)-1-cyclohex-3-enyl]methyl]-6-azaspiro[2.5]octane-2-carbox (2S)-N-(3-chloro-4-methoxy-pheny…

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) 4.69 0.63 -49.87 2 4 1 43 389.947 5 ↓

Parameters Provided:

ring.id = 84719
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 = 84719 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=84719&filter.purchasability=annotated

Embed Link to Results