Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_k8h7uat0hogvpor07r0tcc5j04, 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

20428339
20428339
20428480
20428480

Draw Identity 99% 90% 80% 70%

Popular Name: 1'-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5,5-dimethyl-spiro[1,3-dioxane-2,3'-indoline]-2'-one 1'-[[4-(4-methoxyphenyl)piperazi…

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) 3.84 7.24 -11.46 0 7 0 54 437.54 4 ↓

Analogs

16217063
16217063
16450923
16450923
16578134
16578134

Draw Identity 99% 90% 80% 70%

Popular Name: 1'-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-nitro-spiro[1,3-dioxane-2,3'-indoline]-2'- 1'-[[4-(4-methoxyphenyl)piperazi…

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) 2.90 6.86 -12.55 0 10 0 100 468.51 5 ↓

Analogs

20058370
20058370
20428476
20428476
20428482
20428482
15226424
15226424
16489104
16489104

Draw Identity 99% 90% 80% 70%

Popular Name: 5,5-dimethyl-1'-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]spiro[1,3-dioxane-2,3'-indoline]-2'-one 5,5-dimethyl-1'-[[4-(4-nitrophen…

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 9.73 -14.83 0 9 0 91 452.511 4 ↓
Lo Low (pH 4.5-6) 3.74 11.97 -57.95 1 9 1 92 453.519 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1'-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5,5-dimethyl-spiro[1,3-dioxane-2,3'-indoline]-2'-one 1'-[[4-(3-chlorophenyl)piperazin…

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) 4.44 9.53 -9.91 0 6 0 45 441.959 3 ↓
Lo Low (pH 4.5-6) 4.44 11.77 -45.09 1 6 1 46 442.967 3 ↓

Analogs

19848450
19848450
20681497
20681497
15231452
15231452
12402442
12402442

Draw Identity 99% 90% 80% 70%

Popular Name: 1'-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-5-nitro-spiro[1,3-dioxane-2,3'-indoline]-2'-o 1'-[[4-(3-chlorophenyl)piperazin…

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) 3.50 9.16 -10.86 0 9 0 91 472.929 4 ↓
Lo Low (pH 4.5-6) 3.50 11.4 -47.97 1 9 1 92 473.937 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1'-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5,5-dimethyl-spiro[1,3-dioxane-2,3'-indoline]-2'-one 1'-[[4-(2-fluorophenyl)piperazin…

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) 3.90 9.52 -10 0 6 0 45 425.504 3 ↓
Lo Low (pH 4.5-6) 3.90 11.78 -37.48 1 6 1 46 426.512 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1'-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-5-nitro-spiro[1,3-dioxane-2,3'-indoline]-2'-o 1'-[[4-(2-fluorophenyl)piperazin…

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) 2.96 9.15 -10.87 0 9 0 91 456.474 4 ↓
Lo Low (pH 4.5-6) 2.96 11.41 -40.07 1 9 1 92 457.482 4 ↓

Parameters Provided:

ring.id = 101173
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 = 101173 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=101173&filter.purchasability=annotated

Embed Link to Results