Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_p0lh5fgpsup4b24sa0dfq8uf37, 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: (7Z)-7-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-3-(2-methoxyethyl)-9-methyl-2,4-dihydrofuro[3,2- (7Z)-7-[(6-bromo-4H-1,3-benzodio…

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) 3.73 6.21 -11.28 0 7 0 70 488.334 4 ↓
Lo Low (pH 4.5-6) 3.73 9.08 -48.16 1 7 1 72 489.342 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-3-isopropyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3] (7Z)-7-[(6-bromo-4H-1,3-benzodio…

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) 4.42 7.49 -9.05 0 6 0 61 472.335 2 ↓
Mid Mid (pH 6-8) 4.42 10.47 -45.06 1 6 1 62 473.343 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-3-(3-methoxypropyl)-9-methyl-2,4-dihydrofuro[3,2 (7Z)-7-[(6-bromo-4H-1,3-benzodio…

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) 4.00 6.93 -10.93 0 7 0 70 502.361 5 ↓
Lo Low (pH 4.5-6) 4.00 9.81 -51.53 1 7 1 72 503.369 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylene]-3-isobutyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3]b (7Z)-7-[(6-bromo-4H-1,3-benzodio…

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) 4.87 8.88 -9 0 6 0 61 486.362 3 ↓
Mid Mid (pH 6-8) 4.87 11.38 -47.87 1 6 1 62 487.37 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-3-(2-methoxyethyl)-9-methyl-2,4-dihydrofuro[3,2 (7Z)-7-[(6-chloro-4H-1,3-benzodi…

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) 3.60 6.1 -11.35 0 7 0 70 443.883 4 ↓
Lo Low (pH 4.5-6) 3.60 8.98 -48.25 1 7 1 72 444.891 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-3-isopropyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3 (7Z)-7-[(6-chloro-4H-1,3-benzodi…

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) 4.29 7.38 -9.13 0 6 0 61 427.884 2 ↓
Mid Mid (pH 6-8) 4.29 10.35 -45.09 1 6 1 62 428.892 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-3-(3-methoxypropyl)-9-methyl-2,4-dihydrofuro[3, (7Z)-7-[(6-chloro-4H-1,3-benzodi…

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) 3.87 6.83 -11 0 7 0 70 457.91 5 ↓
Lo Low (pH 4.5-6) 3.87 9.69 -51.62 1 7 1 72 458.918 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7Z)-7-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-3-isobutyl-9-methyl-2,4-dihydrofuro[3,2-g][1,3] (7Z)-7-[(6-chloro-4H-1,3-benzodi…

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) 4.74 8.78 -9.06 0 6 0 61 441.911 3 ↓
Mid Mid (pH 6-8) 4.74 11.27 -47.97 1 6 1 62 442.919 3 ↓

Parameters Provided:

ring.id = 551028
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 = 551028 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=551028&filter.purchasability=annotated

Embed Link to Results