Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_o3eunk5j14g24pq7u70p0m76l2, 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

8980909
8980909
8980912
8980912
12693712
12693712

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methylcyclohexyl)-2-(2,6,7,9-tetrazabicyclo[4.3.0]nona-2,4,7,9-tetraen-8-ylsulfanyl)acetamide N-(2-methylcyclohexyl)-2-(2,6,7,…

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) 2.01 -1.06 -18.05 1 6 0 72 305.407 4 ↓

Analogs

8980912
8980912
12693712
12693712
8980907
8980907

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methylcyclohexyl)-2-(2,6,7,9-tetrazabicyclo[4.3.0]nona-2,4,7,9-tetraen-8-ylsulfanyl)acetamide N-(2-methylcyclohexyl)-2-(2,6,7,…

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) 2.01 -1.6 -18.54 1 6 0 72 305.407 4 ↓

Analogs

12693712
12693712
8980907
8980907
8980909
8980909

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methylcyclohexyl)-2-(2,6,7,9-tetrazabicyclo[4.3.0]nona-2,4,7,9-tetraen-8-ylsulfanyl)acetamide N-(2-methylcyclohexyl)-2-(2,6,7,…

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) 2.01 -1.05 -18.05 1 6 0 72 305.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl]sulfanyl-5,7-dimethyl-[1,2,4]tr 3-[2-[(1R)-2-[(1-cyanocyclohexyl…

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) 2.77 12.11 -56.78 0 9 -1 127 443.553 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[(1S)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl]sulfanyl-5,7-dimethyl-[1,2,4]tr 3-[2-[(1S)-2-[(1-cyanocyclohexyl…

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) 2.77 12.04 -56.78 0 9 -1 127 443.553 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl]sulfanyl-5,7-dimethyl-[1,2,4]tr 2-[2-[(1R)-2-[(1-cyanocyclohexyl…

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) 2.25 11.26 -55.1 0 9 -1 127 429.526 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(1S)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl]sulfanyl-5,7-dimethyl-[1,2,4]tr 2-[2-[(1S)-2-[(1-cyanocyclohexyl…

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) 2.25 11.26 -57 0 9 -1 127 429.526 6 ↓

Parameters Provided:

ring.id = 6486
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 = 6486 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=6486&filter.purchasability=annotated

Embed Link to Results