UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20900648
20900648
20900651
20900651
20900681
20900681
20900683
20900683
20900686
20900686

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-methyl-spiro[8H-furo[4,5-f]chromene-7,1'-cyclohexane 2-[(3R,5R)-3,5-dimethylpiperidin…

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) 5.53 11.91 -12.85 0 5 0 60 409.526 1 ↓

Analogs

20900651
20900651
20900681
20900681
20900683
20900683
20900686
20900686
20900646
20900646

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-methyl-spiro[8H-furo[4,5-f]chromene-7,1'-cyclohexane 2-[(3S,5R)-3,5-dimethylpiperidin…

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) 5.53 11.48 -12.53 0 5 0 60 409.526 1 ↓

Analogs

20900681
20900681
20900683
20900683
20900686
20900686
20900646
20900646
20900648
20900648

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1-methyl-spiro[8H-furo[4,5-f]chromene-7,1'-cyclohexane 2-[(3S,5S)-3,5-dimethylpiperidin…

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) 5.53 11.85 -12.72 0 5 0 60 409.526 1 ↓

Parameters Provided:

ring.id = 82525
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 = 82525 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=82525&filter.purchasability=annotated

Embed Link to Results