Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_q4gkrcqd3sd7d6b667fp9fmti4, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aR,6S,7R,8R,8aR)-6,7-dibenzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol (2S,4aR,6S,7R,8R,8aR)-6,7-dibenz…

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) 4.22 11.18 -7.7 1 6 0 66 448.515 7 ↓

Analogs

22050264
22050264
22050268
22050268
22050273
22050273
22050278
22050278

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aR,6S,7S,8R,8aR)-6,7-dibenzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol (2S,4aR,6S,7S,8R,8aR)-6,7-dibenz…

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) 4.22 11.29 -8.86 1 6 0 66 448.515 7 ↓

Analogs

22050264
22050264
22050268
22050268
22050273
22050273
22050278
22050278

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aR,6S,7R,8S,8aR)-6,7-dibenzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol (2S,4aR,6S,7R,8S,8aR)-6,7-dibenz…

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) 4.22 10.63 -9.21 1 6 0 66 448.515 7 ↓

Analogs

38599844
38599844
38599849
38599849
38599853
38599853
38599856
38599856
22050264
22050264

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aR,6S,7S,8S,8aR)-6,7-dibenzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol (2S,4aR,6S,7S,8S,8aR)-6,7-dibenz…

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) 4.22 11.04 -10.21 1 6 0 66 448.515 7 ↓

Analogs

38599849
38599849
38599853
38599853
38599856
38599856
22050264
22050264
22050268
22050268

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aS,6S,7R,8S,8aS)-6,7-dibenzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol (2S,4aS,6S,7R,8S,8aS)-6,7-dibenz…

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) 4.22 9.62 -8.49 1 6 0 66 448.515 7 ↓

Analogs

38599853
38599853
38599856
38599856
22050264
22050264
22050268
22050268
22050273
22050273

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aS,6S,7S,8S,8aS)-6,7-dibenzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol (2S,4aS,6S,7S,8S,8aS)-6,7-dibenz…

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) 4.22 9.73 -10.39 1 6 0 66 448.515 7 ↓

Analogs

38599856
38599856
22050264
22050264
22050268
22050268
22050273
22050273
22050278
22050278

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4aR,6S,7R,8S,8aS)-6,7-dibenzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol (2S,4aR,6S,7R,8S,8aS)-6,7-dibenz…

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) 4.22 9.71 -8.39 1 6 0 66 448.515 7 ↓

Analogs

22050264
22050264
22050268
22050268
22050273
22050273
22050278
22050278
38599844
38599844

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2-Di-O-benzyl-4,6-O-benzylidene-a-D-mannopyranoside 1,2-Di-O-benzyl-4,6-O-benzyliden…

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) 4.22 9.74 -9.59 1 6 0 66 448.515 7 ↓

Parameters Provided:

ring.id = 20431
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 = 20431 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=20431&filter.purchasability=annotated

Embed Link to Results