UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2804981
2804981
6555370
6555370
6921655
6921655
13960105
13960105
18032065
18032065

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-bromo-3-methyl-pyrazol-1-yl)-N,N-dicyclohexyl-propionamide 3-(4-bromo-3-methyl-pyrazol-1-yl…

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) 4.78 0.35 -5.62 0 4 0 38 396.373 5 ↓

Analogs

17948486
17948486
2781838
2781838
2781837
2781837

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dicyclohexyl-3-(3-methyl-4-nitro-pyrazol-1-yl)propionamide N,N-dicyclohexyl-3-(3-methyl-4-n…

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) 3.93 1.57 -8.29 0 7 0 83 362.474 6 ↓

Parameters Provided:

ring.id = 234254
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 = 234254 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=234254&filter.purchasability=annotated

Embed Link to Results