UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35701064
35701064

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[ethyl(2-furylmethyl)amino]-2-oxo-ethyl]cyclohexanecarboxylic 1-[2-[ethyl(2-furylmethyl)amino]…

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) 2.20 9.55 -62.26 0 5 -1 74 292.355 6 ↓
Lo Low (pH 4.5-6) 2.20 7.38 -13.71 1 5 0 71 293.363 6 ↓

Analogs

40515266
40515266
35701064
35701064
35699265
35699265
35123290
35123290
35123292
35123292

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(5-bromo-2-furyl)methyl-methyl-amino]-2-oxo-ethyl]cyclohexanecarboxylic 1-[2-[(5-bromo-2-furyl)methyl-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) 2.76 9.49 -57.99 0 5 -1 74 357.224 5 ↓
Lo Low (pH 4.5-6) 2.76 7.5 -12.77 1 5 0 71 358.232 5 ↓

Parameters Provided:

ring.id = 295373
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 = 295373 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=295373&filter.purchasability=annotated

Embed Link to Results