UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5R)-5-ethyl-2-methyl-morpholin-4-yl]-[(4R)-thiazolidin-4-yl]methanone [(2R,5R)-5-ethyl-2-methyl-morpho…

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) 0.88 3.7 -40.85 2 4 1 46 245.368 2 ↓
Mid Mid (pH 6-8) 0.88 2.62 -9.15 1 4 0 42 244.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2R,5S)-5-ethyl-2-methyl-morpholin-4-yl]-[(4R)-thiazolidin-4-yl]methanone [(2R,5S)-5-ethyl-2-methyl-morpho…

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) 0.88 3.19 -40.95 2 4 1 46 245.368 2 ↓
Mid Mid (pH 6-8) 0.88 2.1 -8.55 1 4 0 42 244.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5R)-5-ethyl-2-methyl-morpholin-4-yl]-[(4R)-thiazolidin-4-yl]methanone [(2S,5R)-5-ethyl-2-methyl-morpho…

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) 0.88 3.19 -41.26 2 4 1 46 245.368 2 ↓
Mid Mid (pH 6-8) 0.88 2.06 -8.45 1 4 0 42 244.36 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]-[(4R)-thiazolidin-4-yl]methanone [(2S,5S)-5-ethyl-2-methyl-morpho…

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) 0.88 3.75 -41.55 2 4 1 46 245.368 2 ↓
Mid Mid (pH 6-8) 0.88 2.6 -9.01 1 4 0 42 244.36 2 ↓

Parameters Provided:

ring.id = 65403
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 = 65403 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=65403&filter.purchasability=annotated

Embed Link to Results