Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_3tbr6u5pa0m6kc0fd5fcl6ktg3, 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-(2-isopropyl-1,3-benzoxazol-5-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide N-(2-isopropyl-1,3-benzoxazol-5-…

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) 4.75 6.64 -16.05 1 5 0 64 392.377 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-isopropyl-1,3-benzoxazol-5-yl)-2-methylsulfonyl-benzamide N-(2-isopropyl-1,3-benzoxazol-5-…

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) 3.14 3.95 -19.44 1 6 0 89 358.419 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-isopropyl-1,3-benzoxazol-5-yl)-3,5-dinitro-benzamide N-(2-isopropyl-1,3-benzoxazol-5-…

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) 3.72 6.84 -14.85 1 10 0 147 370.321 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(isobutylsulfamoyl)-N-(2-isopropyl-1,3-benzoxazol-5-yl)benzamide 4-(isobutylsulfamoyl)-N-(2-isopr…

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) 4.07 4.07 -18.45 2 7 0 101 415.515 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(isopropylcarbamoylamino)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide 2-(isopropylcarbamoylamino)-N-(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) 2.95 3.85 -14.5 3 7 0 96 352.394 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(methanesulfonamido)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide 2-(methanesulfonamido)-N-(2-meth…

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) 2.00 1.22 -49.59 1 7 -1 103 344.372 4 ↓

Analogs

53151122
53151122

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(2-methoxyethoxy)benzamide N-(2-tert-butyl-1,3-benzoxazol-5…

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) 4.46 5.57 -15.09 1 6 0 74 368.433 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-acetamido-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-fluoro-benzamide 5-acetamido-N-(2-tert-butyl-1,3-…

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) 3.85 5.05 -17.99 2 6 0 84 369.396 4 ↓

Analogs

53151362
53151362

Draw Identity 99% 90% 80% 70%

Popular Name: 3-acetamido-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-4-fluoro-benzamide 3-acetamido-N-(2-tert-butyl-1,3-…

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) 3.85 5.1 -17.94 2 6 0 84 369.396 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(ethylsulfonylamino)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide 3-(ethylsulfonylamino)-N-(2-meth…

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) 2.40 1.83 -19.14 2 7 0 101 359.407 5 ↓
Mid Mid (pH 6-8) 2.40 1.9 -47.66 1 7 -1 103 358.399 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-5-methoxy-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]benzamide 2-bromo-5-methoxy-N-[2-(trifluor…

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) 4.52 4.49 -8.77 1 5 0 64 415.165 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethyl-1,3-benzoxazol-5-yl)-4-[(E)-methoxyiminomethyl]benzamide N-(2-ethyl-1,3-benzoxazol-5-yl)-…

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) 3.18 5.03 -14.14 1 6 0 77 323.352 5 ↓

Analogs

37791102
37791102
37791103
37791103
37791104
37791104

Draw Identity 99% 90% 80% 70%

Popular Name: N1-(2-ethyl-1,3-benzoxazol-5-yl)terephthalamide N1-(2-ethyl-1,3-benzoxazol-5-yl)…

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) 2.21 1.71 -15.13 3 6 0 98 309.325 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethyl-1,3-benzoxazol-5-yl)-4-[(S)-methylsulfinyl]benzamide N-(2-ethyl-1,3-benzoxazol-5-yl)-…

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 3.51 -19.02 1 5 0 72 328.393 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(difluoromethoxy)-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methoxy-benzamide 2-(difluoromethoxy)-N-(2-ethyl-1…

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) 4.32 5.43 -16.29 1 6 0 74 362.332 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethyl-1,3-benzoxazol-5-yl)-2-propylsulfonyl-benzamide N-(2-ethyl-1,3-benzoxazol-5-yl)-…

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 5.05 -19.12 1 6 0 89 372.446 6 ↓

Analogs

21798441
21798441
12728902
12728902

Draw Identity 99% 90% 80% 70%

Popular Name: 4-tert-butyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide 4-tert-butyl-N-(2-methyl-1,3-ben…

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) 4.52 6.49 -10.63 1 4 0 55 308.381 3 ↓

Analogs

15594855
15594855
9456899
9456899

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-diethoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide 3,4-diethoxy-N-(2-methyl-1,3-ben…

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 5.21 -14.24 1 6 0 74 340.379 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-6-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide 2-chloro-6-fluoro-N-(2-methyl-1,…

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) 3.56 4.5 -12.87 1 4 0 55 304.708 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(methylamino)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide 2-(methylamino)-N-(2-methyl-1,3-…

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) 2.63 3.33 -10.53 2 5 0 67 281.315 3 ↓

Parameters Provided:

ring.id = 12653
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 = 12653 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=12653&filter.purchasability=annotated

Embed Link to Results