Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_m0utpos9g9dnjlgn0i8bn1ct71, 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: 2-[(9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraen-7-yl)amino]-N-(4-methylsulfanylph 2-[(9,9-dioxo-9$l^{6}-thia-8-aza…

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) 3.21 -6.08 -20.01 2 6 0 88 417.556 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraen-7-yl)amino]-N-(4-methylsulfanylph 2-[(9,9-dioxo-9$l^{6}-thia-8-aza…

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) 3.21 -6.1 -19.61 2 6 0 88 417.556 8 ↓

Analogs

11984312
11984312

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraen-7-yl)amino]-N-[4-(2,2,2-trifluoro 2-[(9,9-dioxo-9$l^{6}-thia-8-aza…

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) 3.76 -3.86 -22.32 2 7 0 97 469.485 10 ↓

Analogs

11984306
11984306

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraen-7-yl)amino]-N-[4-(2,2,2-trifluoro 2-[(9,9-dioxo-9$l^{6}-thia-8-aza…

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) 3.76 -3.87 -21.17 2 7 0 97 469.485 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-nitrophenyl)propanamide (2S)-2-[(1,1-dioxo-1,2-benzothia…

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) 1.11 4.31 -23.81 2 9 0 133 374.378 5 ↓

Analogs

25258875
25258875

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraen-7-yl)amino]-N-(4-methylsulfanylph 2-[(9,9-dioxo-9$l^{6}-thia-8-aza…

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) 1.64 3.86 -19.85 2 6 0 88 361.448 5 ↓

Analogs

12040060
12040060

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraen-7-yl)amino]-4-methylsulfanyl-N-(4 2-[(9,9-dioxo-9$l^{6}-thia-8-aza…

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) 2.06 -6.76 -19.42 2 6 0 88 435.596 8 ↓

Analogs

12040058
12040058

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraen-7-yl)amino]-4-methylsulfanyl-N-(4 2-[(9,9-dioxo-9$l^{6}-thia-8-aza…

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) 2.06 -6.78 -19.01 2 6 0 88 435.596 8 ↓

Analogs

13012057
13012057
16200244
16200244
16259714
16259714
16598617
16598617
25386441
25386441

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-ethylphenyl)-3-methyl-butanamide (2S)-2-[(1,1-dioxo-1,2-benzothia…

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) 2.87 6.6 -17.07 2 6 0 88 385.489 6 ↓

Analogs

16200244
16200244
16259714
16259714
16598617
16598617
25386441
25386441
13004305
13004305

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-ethylphenyl)-3-methyl-butanamide (2R)-2-[(1,1-dioxo-1,2-benzothia…

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) 2.87 6.4 -17.43 2 6 0 88 385.489 6 ↓

Analogs

8060993
8060993

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]-N-(3-isopropylphenyl)acetamide 2-[(1,1-dioxo-1,2-benzothiazol-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) 2.94 6.49 -27.22 1 6 0 79 371.462 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]acetyl]amino]-N-methyl-benzamide 2-[[2-[(1,1-dioxo-1,2-benzothiaz…

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) 0.36 1.66 -22.5 3 8 0 117 372.406 5 ↓

Analogs

14266899
14266899
14266900
14266900

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-isopropylphenyl)hexanamide (2R)-2-[(1,1-dioxo-1,2-benzothia…

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 7.68 -18.63 2 6 0 88 413.543 8 ↓

Analogs

14266899
14266899
14266900
14266900

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-isopropylphenyl)hexanamide (2S)-2-[(1,1-dioxo-1,2-benzothia…

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 7.68 -18.66 2 6 0 88 413.543 8 ↓

Analogs

25386798
25386798

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[4-(trifluoromethoxy)phenyl]hexanamide (2R)-2-[(1,1-dioxo-1,2-benzothia…

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) 3.74 5.54 -19.76 2 7 0 97 455.458 9 ↓

Analogs

25386798
25386798

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[4-(trifluoromethoxy)phenyl]hexanamide (2S)-2-[(1,1-dioxo-1,2-benzothia…

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) 3.74 5.57 -20.01 2 7 0 97 455.458 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-iodophenyl)propanamide (2S)-2-[(1,1-dioxo-1,2-benzothia…

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) 2.23 4.76 -17.91 2 6 0 88 455.277 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(difluoromethoxy)phenyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]acetamide N-[2-(difluoromethoxy)phenyl]-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) 1.78 2.54 -20.69 2 7 0 97 381.36 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-fluorophenyl)-N-methyl-acetamide 2-[(1,1-dioxo-1,2-benzothiazol-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 4.61 -19.04 1 6 0 79 347.371 4 ↓

Parameters Provided:

ring.id = 57284
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 = 57284 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=57284&filter.purchasability=annotated

Embed Link to Results