Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_jtrm8qj5ja69lkv55cv5uqttq2, 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: N-(4-bromophenyl)-1,4-dimethyl-2,3-dioxo-quinoxaline-6-sulfonamide N-(4-bromophenyl)-1,4-dimethyl-2…

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) 2.31 5.46 -39.83 0 7 -1 92 423.268 3 ↓
Mid Mid (pH 6-8) 2.31 5.33 -16.78 1 7 0 90 424.276 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3,5-bis(trifluoromethyl)phenyl]-1,4-dimethyl-2,3-dioxo-quinoxaline-6-sulfonamide N-[3,5-bis(trifluoromethyl)pheny…

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 6.9 -34.62 0 7 -1 92 480.366 5 ↓
Lo Low (pH 4.5-6) 3.22 6.83 -20.36 1 7 0 90 481.374 5 ↓

Analogs

6938511
6938511
6938533
6938533

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-difluorophenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide N-(2,4-difluorophenyl)-2,3-dioxo…

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) 0.73 1.62 -38.76 2 7 -1 114 352.298 3 ↓
Mid Mid (pH 6-8) 0.73 1.55 -18.49 3 7 0 112 353.306 3 ↓

Analogs

6938511
6938511
6938533
6938533

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-difluorophenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide N-(2,5-difluorophenyl)-2,3-dioxo…

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) 0.73 1.62 -41.27 2 7 -1 114 352.298 3 ↓
Mid Mid (pH 6-8) 0.73 1.55 -18.55 3 7 0 112 353.306 3 ↓

Analogs

6938675
6938675

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-fluoro-phenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide N-(3-chloro-4-fluoro-phenyl)-2,3…

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) 1.25 1.98 -36.73 2 7 -1 114 368.753 3 ↓
Mid Mid (pH 6-8) 1.25 1.91 -19.99 3 7 0 112 369.761 3 ↓

Analogs

6920296
6920296
6938511
6938511
6938533
6938533

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluoro-5-methyl-phenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide N-(2-fluoro-5-methyl-phenyl)-2,3…

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) 1.02 2.21 -44.75 2 7 -1 114 348.335 3 ↓
Mid Mid (pH 6-8) 1.02 2.15 -18.73 3 7 0 112 349.343 3 ↓

Analogs

6938678
6938678

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide N-[3-chloro-4-(difluoromethoxy)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) 1.70 1.53 -41.89 2 8 -1 123 416.769 5 ↓
Mid Mid (pH 6-8) 1.70 1.46 -21.57 3 8 0 121 417.777 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methylsulfonylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide N-(4-methylsulfonylphenyl)-2,3-d…

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) -0.66 -1.01 -48.21 2 9 -1 148 394.41 4 ↓
Lo Low (pH 4.5-6) -0.66 -1.05 -24.6 3 9 0 146 395.418 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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) 0.62 2.09 -43.92 2 9 -1 140 374.354 5 ↓
Mid Mid (pH 6-8) 0.62 2.09 -19.27 3 9 0 138 375.362 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]-4-methoxy-phenyl]acetamide N-[3-[(2,3-dioxo-1,4-dihydroquin…

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) -0.32 -0.33 -49.51 3 10 -1 152 403.396 5 ↓
Mid Mid (pH 6-8) -0.32 -0.38 -19.83 4 10 0 150 404.404 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide N-(4-chloro-2,5-dimethoxy-phenyl…

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) 1.12 0.64 -43.33 2 9 -1 132 410.815 5 ↓
Mid Mid (pH 6-8) 1.12 0.58 -16.51 3 9 0 130 411.823 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]-N-methyl-benzamide 4-[(2,3-dioxo-1,4-dihydroquinoxa…

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) -0.33 -0.26 -47.6 3 9 -1 143 373.37 4 ↓
Mid Mid (pH 6-8) -0.33 -0.29 -24.21 4 9 0 141 374.378 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-bromo-N-(3-fluoro-2-methyl-phenyl)-1,4-dimethyl-2,3-dioxo-quinoxaline-6-sulfonamide 7-bromo-N-(3-fluoro-2-methyl-phe…

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) 2.76 6.32 -37.69 0 7 -1 92 455.285 3 ↓
Lo Low (pH 4.5-6) 2.76 5.86 -15.27 1 7 0 90 456.293 3 ↓

Parameters Provided:

ring.id = 69139
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 = 69139 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=69139&filter.purchasability=annotated

Embed Link to Results