Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_0mvp6juhm7gfli0hddpbslhv73, 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

36880237
36880237
36880757
36880757
36880801
36880801
36880843
36880843
36880878
36880878

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide N-cyclohexyl-3,5-dimethyl-1,2-ox…

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) 1.77 2.9 -9.59 1 5 0 72 258.343 3 ↓
Hi High (pH 8-9.5) 1.77 2.54 -36.16 0 5 -1 74 257.335 3 ↓

Analogs

48464581
48464581
48959796
48959796
6728848
6728848
4968790
4968790
4968792
4968792

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-aminocyclohexyl)-3,5-dimethyl-isoxazole-4-sulfonamide N-(4-aminocyclohexyl)-3,5-dimeth…

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) -0.34 -0.17 -55.96 4 6 1 100 274.366 3 ↓

Analogs

38674439
38674439
48959796
48959796
6728848
6728848
4968790
4968790
4968792
4968792

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-[4-(methylamino)cyclohexyl]isoxazole-4-sulfonamide 3,5-dimethyl-N-[4-(methylamino)c…

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) 0.56 1.51 -50.95 3 6 1 89 288.393 4 ↓

Analogs

38582580
38582580
38674439
38674439
6728848
6728848
4968790
4968790
4968792
4968792

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(ethylamino)cyclohexyl]-3,5-dimethyl-isoxazole-4-sulfonamide N-[4-(ethylamino)cyclohexyl]-3,5…

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) 0.94 2.28 -48.37 3 6 1 89 302.42 5 ↓

Analogs

38582580
38582580
38674439
38674439
6728848
6728848
25427222
25427222
25427224
25427224

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-[4-(propylamino)cyclohexyl]isoxazole-4-sulfonamide 3,5-dimethyl-N-[4-(propylamino)c…

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) 1.44 3.27 -50.12 3 6 1 89 316.447 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]isoxazole-4-sulfonamide 3,5-dimethyl-N-[4-(trifluorometh…

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) 2.09 3.75 -11.88 1 5 0 72 326.34 4 ↓

Analogs

36880237
36880237
36880757
36880757
36880801
36880801
7213560
7213560

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-(4-propylcyclohexyl)isoxazole-4-sulfonamide 3,5-dimethyl-N-(4-propylcyclohex…

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) 2.78 4.81 -8.83 1 5 0 72 300.424 5 ↓

Parameters Provided:

ring.id = 3869
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 = 3869 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=3869&filter.purchasability=annotated

Embed Link to Results