Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_oq9et439qjp10vlje4a1oigb44, 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

13012148
13012148
13012149
13012149
13012150
13012150

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aS)-N-[4-(4-acetamidophenyl)thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiaz (3R,7aS)-N-[4-(4-acetamidophenyl…

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) 1.61 7.04 -23.82 2 7 0 91 416.528 4 ↓
Hi High (pH 8-9.5) 1.80 5.13 -59.74 1 7 -1 98 415.52 4 ↓

Analogs

13012149
13012149
13012150
13012150
13012147
13012147

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aS)-N-[4-(4-acetamidophenyl)thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiaz (3S,7aS)-N-[4-(4-acetamidophenyl…

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) 1.61 6.98 -25.08 2 7 0 91 416.528 4 ↓
Hi High (pH 8-9.5) 1.80 4.91 -62.14 1 7 -1 98 415.52 4 ↓

Analogs

13012150
13012150
13012147
13012147

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aR)-N-[4-(4-acetamidophenyl)thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiaz (3R,7aR)-N-[4-(4-acetamidophenyl…

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) 1.61 7.82 -24.22 2 7 0 91 416.528 4 ↓
Hi High (pH 8-9.5) 1.80 6.2 -61.07 1 7 -1 98 415.52 4 ↓

Analogs

13012147
13012147

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aR)-N-[4-(4-acetamidophenyl)thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiaz (3S,7aR)-N-[4-(4-acetamidophenyl…

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) 1.61 7.04 -23.97 2 7 0 91 416.528 4 ↓
Hi High (pH 8-9.5) 1.80 5.12 -59.98 1 7 -1 98 415.52 4 ↓

Analogs

15940399
15940399
15940401
15940401
15940403
15940403

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aS)-N-[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1- (3R,7aS)-N-[4-(4-fluorophenyl)-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) 2.78 8.79 -16.63 1 5 0 62 391.493 3 ↓
Hi High (pH 8-9.5) 2.96 6.87 -49.72 0 5 -1 69 390.485 3 ↓

Analogs

15940401
15940401
15940403
15940403
15940397
15940397

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aS)-N-[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1- (3S,7aS)-N-[4-(4-fluorophenyl)-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) 2.78 8.73 -17.84 1 5 0 62 391.493 3 ↓
Hi High (pH 8-9.5) 2.96 6.66 -52.26 0 5 -1 69 390.485 3 ↓

Analogs

15940403
15940403
15940397
15940397

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aR)-N-[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1- (3R,7aR)-N-[4-(4-fluorophenyl)-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) 2.78 9.57 -17.08 1 5 0 62 391.493 3 ↓
Hi High (pH 8-9.5) 2.96 7.94 -51.4 0 5 -1 69 390.485 3 ↓

Analogs

15940397
15940397

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aR)-N-[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1- (3S,7aR)-N-[4-(4-fluorophenyl)-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) 2.78 8.79 -16.71 1 5 0 62 391.493 3 ↓
Hi High (pH 8-9.5) 2.96 6.87 -49.96 0 5 -1 69 390.485 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aR)-N-[4-(2,5-dichlorophenyl)thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thia (3R,7aR)-N-[4-(2,5-dichloropheny…

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) 3.68 10.14 -17.18 1 5 0 62 428.366 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aS)-N-[4-(2,5-dichlorophenyl)thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thia (3R,7aS)-N-[4-(2,5-dichloropheny…

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) 3.68 9.62 -15.74 1 5 0 62 428.366 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aR)-N-[4-(2,5-dichlorophenyl)thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thia (3S,7aR)-N-[4-(2,5-dichloropheny…

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) 3.68 9.62 -15.78 1 5 0 62 428.366 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aS)-N-[4-(2,5-dichlorophenyl)thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thia (3S,7aS)-N-[4-(2,5-dichloropheny…

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) 3.68 10.39 -16.23 1 5 0 62 428.366 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aR)-N-[4-(3-bromophenyl)thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole- (3R,7aR)-N-[4-(3-bromophenyl)thi…

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 9.3 -18.32 1 5 0 62 438.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,7aS)-N-[4-(3-bromophenyl)thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole- (3R,7aS)-N-[4-(3-bromophenyl)thi…

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 8.78 -16.96 1 5 0 62 438.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aR)-N-[4-(3-bromophenyl)thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole- (3S,7aR)-N-[4-(3-bromophenyl)thi…

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 8.78 -16.97 1 5 0 62 438.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,7aS)-N-[4-(3-bromophenyl)thiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole- (3S,7aS)-N-[4-(3-bromophenyl)thi…

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 9.55 -17.37 1 5 0 62 438.372 3 ↓

Parameters Provided:

ring.id = 112218
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 = 112218 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=112218&filter.purchasability=annotated

Embed Link to Results