Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_ohqbgbcs0885mlakskn94j62n6, 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

12020427
12020427
12020431
12020431
15842483
15842483
12020407
12020407

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one 2-[4-(4-methylpiperazine-1-carbo…

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) -0.27 -3.94 -55.64 1 7 1 79 338.409 2 ↓

Analogs

12020431
12020431
15842483
15842483
12020407
12020407
12020424
12020424

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one 2-[4-(4-ethylpiperazine-1-carbon…

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) 0.10 -3.94 -54.11 1 7 1 79 352.436 3 ↓

Analogs

15842483
15842483
12020407
12020407
12020424
12020424

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperazine-1-carbaldehyde 4-[4-(1,1,3-trioxo-1,2-thiazolid…

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) -0.89 -4.52 -26.77 0 8 0 95 351.384 2 ↓

Analogs

12021094
12021094
12021098
12021098
12021102
12021102
12021107
12021107
12021112
12021112

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-4-methyl-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one (4S)-4-methyl-2-[4-(4-methylpipe…

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) 0.20 -3.43 -54.79 1 7 1 79 352.436 2 ↓

Analogs

12021098
12021098
12021102
12021102
12021107
12021107
12021112
12021112
12022444
12022444

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-4-methyl-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one (4R)-4-methyl-2-[4-(4-methylpipe…

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) 0.20 -3.63 -54.31 1 7 1 79 352.436 2 ↓

Analogs

12021102
12021102
12021107
12021107
12021112
12021112
12022444
12022444
12022450
12022450

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one (4R)-2-[4-(4-ethylpiperazine-1-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) 0.58 -3.62 -52.7 1 7 1 79 366.463 3 ↓

Analogs

12021107
12021107
12021112
12021112
12022444
12022444
12022450
12022450
12022453
12022453

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one (4S)-2-[4-(4-ethylpiperazine-1-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) 0.58 -3.43 -53.2 1 7 1 79 366.463 3 ↓

Analogs

12021112
12021112
12022444
12022444
12022450
12022450
12022453
12022453
19797397
19797397

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperazine-1-carbaldehyde 4-[4-[(4S)-4-methyl-1,1,3-trioxo…

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) -0.41 -4 -25.01 0 8 0 95 365.411 2 ↓

Analogs

12022444
12022444
12022450
12022450
12022453
12022453
19797397
19797397
19797398
19797398

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperazine-1-carbaldehyde 4-[4-[(4R)-4-methyl-1,1,3-trioxo…

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) -0.41 -4.2 -24.96 0 8 0 95 365.411 2 ↓

Analogs

12022453
12022453
19797397
19797397
19797398
19797398
12021067
12021067
12021072
12021072

Draw Identity 99% 90% 80% 70%

Popular Name: 4,4-dimethyl-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one 4,4-dimethyl-2-[4-(4-methylpiper…

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) 0.61 -3.25 -53.34 1 7 1 79 366.463 2 ↓

Analogs

12022453
12022453
19797397
19797397
19797398
19797398
12021067
12021067
12021072
12021072

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one 2-[4-(4-ethylpiperazine-1-carbon…

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) 0.99 -3.25 -51.79 1 7 1 79 380.49 3 ↓

Analogs

19797397
19797397
19797398
19797398
12021067
12021067
12021072
12021072

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperazine-1-carbaldehyde 4-[4-(4,4-dimethyl-1,1,3-trioxo-…

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) 0.00 -3.83 -24.17 0 8 0 95 379.438 2 ↓

Analogs

12023168
12023168
19797439
19797439
20173900
20173900

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-chloro-4-(4-ethylpiperazine-1-carbonyl)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one 2-[3-chloro-4-(4-ethylpiperazine…

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) 0.71 -3.93 -56.55 1 7 1 79 386.881 3 ↓

Analogs

19797439
19797439
20173900
20173900
12023163
12023163

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]piperazine-1-carbaldehyde 4-[2-chloro-4-(1,1,3-trioxo-1,2-…

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) -0.28 -4.64 -28.32 0 8 0 95 385.829 2 ↓

Analogs

12024135
12024135
12024139
12024139
12024144
12024144
15858343
15858343
15858344
15858344

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-2-[3-chloro-4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one (4R)-2-[3-chloro-4-(4-ethylpiper…

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) 1.18 -3.41 -53.19 1 7 1 79 400.908 3 ↓

Analogs

12024139
12024139
12024144
12024144
15858343
15858343
15858344
15858344
20173965
20173965

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-2-[3-chloro-4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one (4S)-2-[3-chloro-4-(4-ethylpiper…

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) 1.18 -3.62 -53.43 1 7 1 79 400.908 3 ↓

Analogs

12024144
12024144
15858343
15858343
15858344
15858344
20173965
20173965
20173968
20173968

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-chloro-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperazine-1-carbaldehyde 4-[2-chloro-4-[(4S)-4-methyl-1,1…

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) 0.19 -4.33 -25.99 0 8 0 95 399.856 2 ↓

Analogs

15858343
15858343
15858344
15858344
20173965
20173965
20173968
20173968
12024129
12024129

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-chloro-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzoyl]piperazine-1-carbaldehyde 4-[2-chloro-4-[(4R)-4-methyl-1,1…

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) 0.19 -4.12 -25.85 0 8 0 95 399.856 2 ↓

Parameters Provided:

ring.id = 75341
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 = 75341 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=75341&filter.purchasability=annotated

Embed Link to Results