UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

41546834
41546834
35512782
35512782
35512784
35512784

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclododecyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-cyclododecyl-2-methyl-3-o…

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) 5.46 8.18 -11.97 2 5 0 67 372.509 2 ↓

Analogs

35512782
35512782
35512784
35512784
41546831
41546831

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclododecyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-cyclododecyl-2-methyl-3-o…

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) 5.46 9.71 -12.77 2 5 0 67 372.509 2 ↓

Analogs

41548347
41548347

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclododecyl-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-cyclododecyl-2,6-dimethyl…

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) 5.89 10.4 -12.47 2 5 0 67 386.536 2 ↓

Analogs

41548345
41548345

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclododecyl-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-cyclododecyl-2,6-dimethyl…

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) 5.89 8.86 -11.72 2 5 0 67 386.536 2 ↓

Analogs

41550455
41550455

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-N-cyclododecyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-N-cyclododecyl-2-m…

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) 6.12 8.72 -11.17 2 5 0 67 406.954 2 ↓

Analogs

41550452
41550452

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-N-cyclododecyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-N-cyclododecyl-2-m…

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) 6.12 10.24 -11.85 2 5 0 67 406.954 2 ↓

Parameters Provided:

ring.id = 547006
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 = 547006 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=547006&filter.purchasability=annotated

Embed Link to Results