UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

11816490
11816490
39638465
39638465
39638466
39638466
39683075
39683075
39683076
39683076

Draw Identity 99% 90% 80% 70%

Popular Name: [(5S)-7-[(2,3-dimethoxyphenyl)methyl]-3,7-diazaspiro[4.5]decan-3-yl]-(2,5-dimethyl-3-furyl)methanone [(5S)-7-[(2,3-dimethoxyphenyl)me…

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) 2.15 2.47 -47.87 1 6 1 56 413.538 5 ↓

Analogs

39638465
39638465
39638466
39638466
39683075
39683075
39683076
39683076
698856
698856

Draw Identity 99% 90% 80% 70%

Popular Name: [(5R)-7-[(2,3-dimethoxyphenyl)methyl]-3,7-diazaspiro[4.5]decan-3-yl]-(2,5-dimethyl-3-furyl)methanone [(5R)-7-[(2,3-dimethoxyphenyl)me…

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) 2.15 2.43 -43.02 1 6 1 56 413.538 5 ↓

Parameters Provided:

ring.id = 49033
filter.purchasability = annotated
page.format = targets
page.num = 1
iosrct = trackref
iocnl3 = legacy
iosrcn = bgt

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 = 49033 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=49033&filter.purchasability=annotated

Embed Link to Results