Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_pldmcb5fab9cvat3itpv5utse5, 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

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-6-(3-bromobenzylidene)-5-imino-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-bromobenzylidene)-5-imi…

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 9.89 -41.53 1 4 1 60 411.304 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-imino-6-(4-isopropylbenzylidene)-3-phenyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one 5-imino-6-(4-isopropylbenzyliden…

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) -0.26 11.15 -41.16 1 4 1 60 374.489 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-6-(4-hydroxybenzylidene)-5-imino-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(4-hydroxybenzylidene)-5-i…

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 6.43 -44.02 2 5 1 80 348.407 2 ↓
Hi High (pH 8-9.5) -2.25 7.2 -75.6 1 5 0 83 347.399 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-5-imino-6-[(4-methoxyphenyl)methylene]-3-phenyl-thiazolo[3,2-a]pyrimidin-7-one (6Z)-5-imino-6-[(4-methoxyphenyl…

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) -1.72 8.55 -42.99 1 5 1 69 362.434 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-6-(4-hydroxy-3-methoxybenzylidene)-5-imino-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(4-hydroxy-3-methoxybenzyl…

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) -2.43 6.41 -45.63 2 6 1 89 378.433 3 ↓
Hi High (pH 8-9.5) -2.43 7.33 -80.15 1 6 0 92 377.425 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[(4-allyloxy-3-methoxy-phenyl)methylene]-5-imino-3-phenyl-thiazolo[3,2-a]pyrimidin-7-one (6Z)-6-[(4-allyloxy-3-methoxy-ph…

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) -1.48 9.97 -45.97 1 6 1 78 418.498 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-chloro-6-ethoxy-4-[(E)-(5-imino-7-oxo-3-phenyl-thiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] [2-chloro-6-ethoxy-4-[(E)-(5-imi…

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) -1.57 8.08 -51.99 1 8 1 112 504.997 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[(4-bromophenyl)methylene]-5-imino-3-phenyl-thiazolo[3,2-a]pyrimidin-7-one (6Z)-6-[(4-bromophenyl)methylene…

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) -0.96 9.89 -42.85 1 4 1 60 411.304 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-6-(3,5-dichloro-4-hydroxybenzylidene)-5-imino-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3,5-dichloro-4-hydroxyben…

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) -0.78 8.32 -68.05 1 5 0 83 416.289 2 ↓
Mid Mid (pH 6-8) -0.78 7.55 -45.38 2 5 1 80 417.297 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[(4-dimethylaminophenyl)methylene]-5-imino-3-phenyl-thiazolo[3,2-a]pyrimidin-7-one (6Z)-6-[(4-dimethylaminophenyl)m…

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) -1.67 9.65 -41.35 1 5 1 63 375.477 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-6-(4-fluorobenzylidene)-5-imino-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(4-fluorobenzylidene)-5-im…

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 9.34 -43.45 1 4 1 60 350.398 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-6-(3-bromo-4-methoxybenzylidene)-5-imino-3-phenyl-5H-thiazolo[3,2-a]pyrimidin-7(6H)-one (Z)-6-(3-bromo-4-methoxybenzylid…

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) -0.98 9.21 -43.67 1 5 1 69 441.33 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-5-imino-6-(m-tolylmethylene)-3-phenyl-thiazolo[3,2-a]pyrimidin-7-one (6Z)-5-imino-6-(m-tolylmethylene…

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) -1.35 9.9 -41.47 1 4 1 60 346.435 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6Z)-6-[(4-chlorophenyl)methylene]-5-imino-3-phenyl-thiazolo[3,2-a]pyrimidin-7-one (6Z)-6-[(4-chlorophenyl)methylen…

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) -1.09 9.79 -42.76 1 4 1 60 366.853 2 ↓

Parameters Provided:

ring.id = 171030
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 = 171030 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=171030&filter.purchasability=annotated

Embed Link to Results