UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

21054615
21054615
21054619
21054619
21054628
21054628

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclohexylethyl]-2-methyl-1,3-benzoxazol-5-amine N-[(1S)-1-cyclohexylethyl]-2-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) 5.07 5.52 -7.54 1 3 0 38 258.365 3 ↓

Analogs

21054615
21054615
21054619
21054619
21054628
21054628

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclohexylethyl]-2-methyl-1,3-benzoxazol-5-amine N-[(1R)-1-cyclohexylethyl]-2-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) 5.07 5.49 -7.52 1 3 0 38 258.365 3 ↓

Analogs

37786033
37786033
37786041
37786041
37786042
37786042
37786043
37786043
37786044
37786044

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclohexylethyl]-2-isopropyl-1,3-benzoxazol-5-amine N-[(1S)-1-cyclohexylethyl]-2-iso…

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) 6.13 6.88 -6.94 1 3 0 38 286.419 4 ↓

Analogs

37786041
37786041
37786042
37786042
37786043
37786043
37786044
37786044

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclohexylethyl]-2-isopropyl-1,3-benzoxazol-5-amine N-[(1R)-1-cyclohexylethyl]-2-iso…

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) 6.13 6.85 -6.96 1 3 0 38 286.419 4 ↓

Parameters Provided:

ring.id = 550585
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 = 550585 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=550585&filter.purchasability=annotated

Embed Link to Results