UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11980449
11980449

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[2-(1-cyclohexenyl)ethyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-1-carbo (1S)-N-[2-(1-cyclohexenyl)ethyl]…

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) 5.18 1.87 -50.06 2 3 1 34 421.527 7 ↓

Analogs

11980444
11980444

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[2-(1-cyclohexenyl)ethyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-1-carbo (1R)-N-[2-(1-cyclohexenyl)ethyl]…

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) 5.18 1.93 -43.15 2 3 1 34 421.527 7 ↓

Analogs

12037705
12037705

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[2-(1-cyclohexenyl)ethyl]-6-[(4-methylsulfanylphenyl)methyl]-6-azaspiro[2.5]octane-1-carboxam (1S)-N-[2-(1-cyclohexenyl)ethyl]…

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) 4.74 -0.66 -47.33 2 3 1 34 399.624 7 ↓

Analogs

12037702
12037702

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[2-(1-cyclohexenyl)ethyl]-6-[(4-methylsulfanylphenyl)methyl]-6-azaspiro[2.5]octane-1-carboxam (1R)-N-[2-(1-cyclohexenyl)ethyl]…

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) 4.74 -0.59 -40.6 2 3 1 34 399.624 7 ↓

Parameters Provided:

ring.id = 64138
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 = 64138 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=64138&filter.purchasability=annotated

Embed Link to Results