UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

15937240
15937240

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-5-benzyl-6-phenyl-1,4,5-oxathiazepane (6S)-5-benzyl-6-phenyl-1,4,5-oxa…

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) 2.54 5.76 -8.49 0 4 0 47 317.41 3 ↓

Analogs

15935274
15935274

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-6-phenyl-5-(p-tolylmethyl)-1,4,5-oxathiazepane (6S)-6-phenyl-5-(p-tolylmethyl)-…

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) 2.99 6.44 -8.49 0 4 0 47 331.437 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-5-[(2-fluorophenyl)methyl]-6-phenyl-1,4,5-oxathiazepane (6S)-5-[(2-fluorophenyl)methyl]-…

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) 2.66 5.57 -8.11 0 4 0 47 335.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-5-[(3-chlorophenyl)methyl]-6-phenyl-1,4,5-oxathiazepane (6S)-5-[(3-chlorophenyl)methyl]-…

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) 3.20 6.37 -7.75 0 4 0 47 351.855 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-5-[(3-fluorophenyl)methyl]-6-phenyl-1,4,5-oxathiazepane (6S)-5-[(3-fluorophenyl)methyl]-…

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) 2.68 5.92 -8.19 0 4 0 47 335.4 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6S)-5-[(4-chlorophenyl)methyl]-6-phenyl-1,4,5-oxathiazepane (6S)-5-[(4-chlorophenyl)methyl]-…

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) 3.22 6.38 -8.23 0 4 0 47 351.855 3 ↓

Parameters Provided:

ring.id = 253923
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 = 253923 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=253923&filter.purchasability=annotated

Embed Link to Results