Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_qm324m2efuhc5lursrk0u4rs56, 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: 8-[2-(4-fluorophenyl)ethyl]-2-isopropylidene-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one 8-[2-(4-fluorophenyl)ethyl]-2-is…

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 8.72 -9.47 0 4 0 43 367.42 3 ↓
Lo Low (pH 4.5-6) 4.42 11.57 -53.86 1 4 1 44 368.428 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[2-(3,4-dimethoxyphenyl)ethyl]-2-isopropylidene-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-o 8-[2-(3,4-dimethoxyphenyl)ethyl]…

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) 3.90 7.85 -12.44 0 6 0 61 409.482 5 ↓
Lo Low (pH 4.5-6) 3.90 10.7 -55.63 1 6 1 62 410.49 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropylidene-8-[2-(4-methoxyphenyl)ethyl]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one 2-isopropylidene-8-[2-(4-methoxy…

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) 4.31 7.95 -9.67 0 5 0 52 379.456 4 ↓
Lo Low (pH 4.5-6) 4.31 10.8 -51.31 1 5 1 53 380.464 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[2-(4-chlorophenyl)ethyl]-2-isopropylidene-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one 8-[2-(4-chlorophenyl)ethyl]-2-is…

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) 4.93 9.18 -8.72 0 4 0 43 383.875 3 ↓
Lo Low (pH 4.5-6) 4.93 12.02 -52.48 1 4 1 44 384.883 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[2-(2,4-dichlorophenyl)ethyl]-2-isopropylidene-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-on 8-[2-(2,4-dichlorophenyl)ethyl]-…

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) 5.54 9.57 -9.23 0 4 0 43 418.32 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[2-(2-chlorophenyl)ethyl]-2-isopropylidene-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one 8-[2-(2-chlorophenyl)ethyl]-2-is…

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) 4.89 9.06 -9 0 4 0 43 383.875 3 ↓
Lo Low (pH 4.5-6) 4.89 11.92 -46.33 1 4 1 44 384.883 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropylidene-8-[2-(2-methoxyphenyl)ethyl]-4-methyl-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one 2-isopropylidene-8-[2-(2-methoxy…

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) 4.26 8.01 -9.47 0 5 0 52 379.456 4 ↓
Lo Low (pH 4.5-6) 4.26 10.87 -45.51 1 5 1 53 380.464 4 ↓

Analogs

20648057
20648057
13734974
13734974
8993131
8993131

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[2-(4-fluorophenyl)ethyl]-2-isopropylidene-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one 8-[2-(4-fluorophenyl)ethyl]-2-is…

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) 4.04 8.09 -9.55 0 4 0 43 353.393 3 ↓
Lo Low (pH 4.5-6) 4.04 10.94 -54.18 1 4 1 44 354.401 3 ↓

Analogs

13692667
13692667
13728434
13728434

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[2-(3,4-dimethoxyphenyl)ethyl]-2-isopropylidene-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one 8-[2-(3,4-dimethoxyphenyl)ethyl]…

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) 3.53 7.21 -12.6 0 6 0 61 395.455 5 ↓
Lo Low (pH 4.5-6) 3.53 10.07 -55.99 1 6 1 62 396.463 5 ↓

Analogs

13734974
13734974
12442616
12442616
12442614
12442614

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropylidene-8-[2-(4-methoxyphenyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one 2-isopropylidene-8-[2-(4-methoxy…

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) 3.94 7.32 -9.76 0 5 0 52 365.429 4 ↓
Lo Low (pH 4.5-6) 3.94 10.17 -51.58 1 5 1 53 366.437 4 ↓

Analogs

13734974
13734974
20648057
20648057
13692667
13692667

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[2-(4-chlorophenyl)ethyl]-2-isopropylidene-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one 8-[2-(4-chlorophenyl)ethyl]-2-is…

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) 4.56 8.54 -8.81 0 4 0 43 369.848 3 ↓
Lo Low (pH 4.5-6) 4.56 11.39 -52.88 1 4 1 44 370.856 3 ↓

Analogs

13734974
13734974
20648057
20648057
13692667
13692667

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[2-(2,4-dichlorophenyl)ethyl]-2-isopropylidene-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one 8-[2-(2,4-dichlorophenyl)ethyl]-…

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) 5.16 8.93 -9.27 0 4 0 43 404.293 3 ↓

Analogs

13734974
13734974
20648057
20648057
13692667
13692667

Draw Identity 99% 90% 80% 70%

Popular Name: 8-[2-(2-chlorophenyl)ethyl]-2-isopropylidene-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one 8-[2-(2-chlorophenyl)ethyl]-2-is…

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) 4.51 8.43 -9 0 4 0 43 369.848 3 ↓

Analogs

13734974
13734974
12442614
12442614
12442616
12442616

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropylidene-8-[2-(2-methoxyphenyl)ethyl]-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one 2-isopropylidene-8-[2-(2-methoxy…

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) 3.89 7.37 -9.61 0 5 0 52 365.429 4 ↓
Lo Low (pH 4.5-6) 3.89 10.24 -45.84 1 5 1 53 366.437 4 ↓

Parameters Provided:

ring.id = 551217
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 = 551217 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=551217&filter.purchasability=annotated

Embed Link to Results