UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9156383
9156383

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-ethyl-2-(4-hydroxyimino-1-piperidyl)acetamide N-cyclopropyl-N-ethyl-2-(4-hydro…

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) 0.46 4.16 -42.42 2 5 1 57 240.327 4 ↓
Hi High (pH 8-9.5) 0.46 5.29 -59.82 1 5 0 60 239.319 4 ↓
Hi High (pH 8-9.5) 0.46 2 -9.21 1 5 0 56 239.319 4 ↓

Analogs

9156383
9156383

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-(4-hydroxyimino-1-piperidyl)-N-methyl-acetamide N-cyclopropyl-2-(4-hydroxyimino-…

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) 0.08 3.42 -42.95 2 5 1 57 226.3 3 ↓
Hi High (pH 8-9.5) 0.08 1.27 -9.67 1 5 0 56 225.292 3 ↓
Hi High (pH 8-9.5) 0.08 4.44 -61.17 1 5 0 60 225.292 3 ↓

Parameters Provided:

ring.id = 549132
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 = 549132 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=549132&filter.purchasability=annotated

Embed Link to Results