UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,3S,4R)-3-(2-morpholinoethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic (1S,2R,3S,4R)-3-(2-morpholinoeth…

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) -0.50 0.95 -58.12 1 7 -1 91 297.331 5 ↓
Mid Mid (pH 6-8) -0.50 3.22 -62.77 2 7 0 92 298.339 5 ↓
Lo Low (pH 4.5-6) -0.50 1.01 -53.97 3 7 1 89 299.347 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,3S,4R)-3-(2-morpholinoethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic (1S,2S,3S,4R)-3-(2-morpholinoeth…

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) -0.50 0.68 -40.25 1 7 -1 91 297.331 5 ↓
Mid Mid (pH 6-8) -0.50 2.95 -55.15 2 7 0 92 298.339 5 ↓
Lo Low (pH 4.5-6) -0.50 0.96 -46.87 3 7 1 89 299.347 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R,3R,4R)-3-(2-morpholinoethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic (1S,2R,3R,4R)-3-(2-morpholinoeth…

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) -0.50 0.59 -51.07 1 7 -1 91 297.331 5 ↓
Mid Mid (pH 6-8) -0.50 2.86 -73.4 2 7 0 92 298.339 5 ↓
Lo Low (pH 4.5-6) -0.50 0.83 -47.81 3 7 1 89 299.347 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S,3R,4R)-3-(2-morpholinoethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic (1S,2S,3R,4R)-3-(2-morpholinoeth…

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) -0.50 1.32 -39.41 1 7 -1 91 297.331 5 ↓
Mid Mid (pH 6-8) -0.50 3.6 -42.48 2 7 0 92 298.339 5 ↓
Lo Low (pH 4.5-6) -0.50 1.62 -45.72 3 7 1 89 299.347 5 ↓

Parameters Provided:

ring.id = 366170
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 = 366170 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=366170&filter.purchasability=annotated

Embed Link to Results