Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_bjr1ec8f3054qfsiuqigmu6n80, 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

41546426
41546426
41546429
41546429
41546432
41546432
36358861
36358861
36358862
36358862

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-[(3R)-1,1-dioxothiolan-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) 0.29 1.15 -22.71 1 7 0 93 338.385 2 ↓

Analogs

41546429
41546429
41546432
41546432
36358861
36358861
36358862
36358862
36358863
36358863

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-[(3R)-1,1-dioxothiolan-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) 0.29 2.8 -21.63 1 7 0 93 338.385 2 ↓

Analogs

41546432
41546432
36358861
36358861
36358862
36358862
36358863
36358863

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-[(3S)-1,1-dioxothiolan-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) 0.29 1.17 -20.99 1 7 0 93 338.385 2 ↓

Analogs

36358861
36358861
36358862
36358862
36358863
36358863

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-[(3S)-1,1-dioxothiolan-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) 0.29 2.79 -22.09 1 7 0 93 338.385 2 ↓

Analogs

41548046
41548046
41548049
41548049
41548052
41548052

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N,2,6-trimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-[(3R)-1,1-dioxothiolan-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) 0.72 3.46 -21.25 1 7 0 93 352.412 2 ↓

Analogs

41548049
41548049
41548052
41548052
41548043
41548043

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N,2,6-trimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-[(3R)-1,1-dioxothiolan-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) 0.72 1.83 -22.36 1 7 0 93 352.412 2 ↓

Analogs

41548052
41548052
41548043
41548043
41548046
41548046

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,6-trimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-N-[(3S)-1,1-dioxothiolan-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) 0.72 3.47 -21.75 1 7 0 93 352.412 2 ↓

Analogs

41548043
41548043
41548046
41548046
41548049
41548049

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,6-trimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-N-[(3S)-1,1-dioxothiolan-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) 0.72 1.84 -20.7 1 7 0 93 352.412 2 ↓

Analogs

41549513
41549513
41549515
41549515
41549517
41549517

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-N-[(3R)-1,1-dioxot…

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) 0.94 1.68 -22.3 1 7 0 93 372.83 2 ↓

Analogs

41549515
41549515
41549517
41549517
41549511
41549511

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-N-[(3R)-1,1-dioxot…

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) 0.94 3.32 -21.19 1 7 0 93 372.83 2 ↓

Analogs

41549517
41549517
41549511
41549511
41549513
41549513

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-N-[(3S)-1,1-dioxot…

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) 0.94 1.7 -20.61 1 7 0 93 372.83 2 ↓

Analogs

41549511
41549511
41549513
41549513
41549515
41549515

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-N-[(3S)-1,1-dioxot…

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) 0.94 3.32 -21.46 1 7 0 93 372.83 2 ↓

Analogs

41549701
41549701
41549703
41549703
41549705
41549705

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-N-[(3R)-1,1-dioxot…

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) 0.70 0.11 -20.41 2 7 0 102 358.803 2 ↓

Analogs

41549703
41549703
41549705
41549705
41549699
41549699

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-N-[(3R)-1,1-dioxot…

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) 0.70 1.62 -21.11 2 7 0 102 358.803 2 ↓

Analogs

41549705
41549705
41549699
41549699
41549701
41549701

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-6-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2S)-6-chloro-N-[(3S)-1,1-dioxot…

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) 0.70 0.1 -19.61 2 7 0 102 358.803 2 ↓

Analogs

41549699
41549699
41549701
41549701
41549703
41549703

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-6-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide (2R)-6-chloro-N-[(3S)-1,1-dioxot…

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) 0.70 1.62 -19.84 2 7 0 102 358.803 2 ↓

Parameters Provided:

ring.id = 546978
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 = 546978 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=546978&filter.purchasability=annotated

Embed Link to Results