UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1S)-1-methyl-2-morpholino-ethyl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[(1S)-1-methyl-2-morph…

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) -0.36 -1.61 -6.84 3 8 0 107 255.278 4 ↓
Mid Mid (pH 6-8) -0.36 0.76 -43.66 4 8 1 108 256.286 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1R)-1-methyl-2-morpholino-ethyl]-1,2,5-oxadiazole-3-carboxamide 4-amino-N-[(1R)-1-methyl-2-morph…

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) -0.36 -1.66 -6.72 3 8 0 107 255.278 4 ↓
Mid Mid (pH 6-8) -0.36 0.74 -43.77 4 8 1 108 256.286 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-(2-cyanoethyl)-N-(2-morpholinoethyl)-1,2,5-oxadiazole-3-carboxamide 4-amino-N-(2-cyanoethyl)-N-(2-mo…

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) -0.99 1.19 -12.31 2 9 0 122 294.315 6 ↓
Mid Mid (pH 6-8) -0.99 3.47 -50.3 3 9 1 123 295.323 6 ↓

Parameters Provided:

ring.id = 122929
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 = 122929 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=122929&filter.purchasability=annotated

Embed Link to Results