UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

13128598
13128598
18269915
18269915

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-[[(2R)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl (2R)-1-(2-tert-butyl-4-methoxy-p…

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) 6.92 11.22 -52.66 3 7 1 82 546.769 16 ↓

Analogs

18269915
18269915
13128597
13128597

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-[[(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl (2S)-1-(2-tert-butyl-4-methoxy-p…

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) 6.92 11.27 -53.52 3 7 1 82 546.769 16 ↓

Analogs

41581902
41581902
49750698
49750698
37978519
37978519
37978520
37978520
37855294
37855294

Draw Identity 99% 90% 80% 70%

Popular Name: 3-phenoxy-N-(3-phenoxypropyl)propan-1-amine 3-phenoxy-N-(3-phenoxypropyl)pro…

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) 3.65 8.98 -47.58 2 3 1 35 286.395 10 ↓

Analogs

20524906
20524906

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-methylphenoxy)-N-[3-(4-methylphenoxy)propyl]propan-1-amine 3-(4-methylphenoxy)-N-[3-(4-meth…

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) 4.55 10.34 -47.47 2 3 1 35 314.449 10 ↓

Parameters Provided:

ring.id = 116121
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 = 116121 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=116121&filter.purchasability=annotated

Embed Link to Results