UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36534308
36534308
36588403
36588403
36588404
36588404

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-tert-butyl-2-(9-phenanthryl)acetamide (2R)-2-[[2-(1,3-benzodioxol-5-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) 5.53 12.43 -13.76 1 6 0 68 482.58 6 ↓

Analogs

36588403
36588403
36588404
36588404
36534307
36534307

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-tert-butyl-2-(9-phenanthryl)acetamide (2S)-2-[[2-(1,3-benzodioxol-5-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) 5.53 12.78 -14.54 1 6 0 68 482.58 6 ↓

Analogs

36534312
36534312
36572818
36572818
36572819
36572819

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-butyl-2-(9-phenanthryl)acetamide (2R)-2-[[2-(1,3-benzodioxol-5-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) 5.78 12.66 -14.08 1 6 0 68 482.58 8 ↓

Analogs

36572818
36572818
36572819
36572819
36534311
36534311

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-methyl-amino]-N-butyl-2-(9-phenanthryl)acetamide (2S)-2-[[2-(1,3-benzodioxol-5-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) 5.78 13.02 -14.91 1 6 0 68 482.58 8 ↓

Parameters Provided:

ring.id = 95209
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 = 95209 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=95209&filter.purchasability=annotated

Embed Link to Results