UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12992230
12992230

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]-N-dimethyl-oxo-BLAHcarboxamide N-[[4-(difluoromethoxy)-3-methox…

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) 2.89 8.97 -22.8 0 7 0 74 449.479 6 ↓

Analogs

12982913
12982913
12996713
12996713
31482413
31482413

Draw Identity 99% 90% 80% 70%

Popular Name: N-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-oxo-BLAHcarboxamide N-dimethyl-N-[[4-(methylcarbamoy…

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) 1.87 7.74 -23.25 1 7 0 84 410.499 4 ↓

Analogs

12863471
12863471
12996713
12996713
31482413
31482413
57363827
57363827

Draw Identity 99% 90% 80% 70%

Popular Name: N-dimethyl-N-(o-tolylmethyl)-oxo-BLAHcarboxamide N-dimethyl-N-(o-tolylmethyl)-oxo…

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) 3.08 10.77 -18.64 0 5 0 55 367.474 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-oxo-BLAHcarboxamide N-dimethyl-N-[(4-methylsulfanylp…

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) 3.11 10.48 -19.68 0 5 0 55 399.541 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-N-dimethyl-oxo-BLAHcarboxamide N-[(2-chloro-6-fluoro-phenyl)met…

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) 3.43 9.69 -18.98 0 5 0 55 405.882 3 ↓

Parameters Provided:

ring.id = 108185
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 = 108185 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=108185&filter.purchasability=annotated

Embed Link to Results