UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(2,6-dimethylmorpholin-4-yl)carbonylmethoxyimino]-8-ethyl-2,4-dimethyl-2,4,10-triazabicyclo[4.4.0 7-[(2,6-dimethylmorpholin-4-yl)c…

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) 0.43 8 -42.57 2 10 1 109 406.463 5 ↓
Hi High (pH 8-9.5) 0.43 7.63 -11.85 1 10 0 108 405.455 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(2,6-dimethylmorpholin-4-yl)carbonylmethoxyimino]-2,4-dimethyl-8-propyl-2,4,10-triazabicyclo[4.4. 7-[(2,6-dimethylmorpholin-4-yl)c…

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) 0.82 8.83 -43.59 2 10 1 109 420.49 6 ↓
Hi High (pH 8-9.5) 0.82 8.45 -12.65 1 10 0 108 419.482 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-butyl-7-[(2,6-dimethylmorpholin-4-yl)carbonylmethoxyimino]-2,4-dimethyl-2,4,10-triazabicyclo[4.4.0 8-butyl-7-[(2,6-dimethylmorpholi…

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) 1.38 9.64 -43.47 2 10 1 109 434.517 7 ↓
Hi High (pH 8-9.5) 1.38 9.26 -12.21 1 10 0 108 433.509 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(2,6-dimethylmorpholin-4-yl)carbonylmethoxyimino]-8-isopropyl-2,4-dimethyl-2,4,10-triazabicyclo[4 7-[(2,6-dimethylmorpholin-4-yl)c…

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) 0.55 8.51 -42.68 2 10 1 109 420.49 5 ↓
Hi High (pH 8-9.5) 0.55 8.14 -12.47 1 10 0 108 419.482 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(2,6-dimethylmorpholin-4-yl)carbonylmethoxyimino]-2,4-dimethyl-2,4,10-triazabicyclo[4.4.0]deca-8, 7-[(2,6-dimethylmorpholin-4-yl)c…

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) -0.47 6.72 -42.8 2 10 1 109 378.409 4 ↓
Hi High (pH 8-9.5) -0.47 6.35 -12.38 1 10 0 108 377.401 4 ↓

Parameters Provided:

ring.id = 7804
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 = 7804 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=7804&filter.purchasability=annotated

Embed Link to Results