Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_8uliu8is4fbf1omosojbtsmtn1, 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: 1-[(5-ethyl-4-phenyl-thiazol-2-yl)methyl]-4,6-dimethyl-pyrimidin-2-one 1-[(5-ethyl-4-phenyl-thiazol-2-y…

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) 3.11 8.33 -16.03 0 4 0 48 325.437 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[4-(3-methoxyphenyl)thiazol-2-yl]methyl]-4,6-dimethyl-pyrimidin-2-one 1-[[4-(3-methoxyphenyl)thiazol-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) 2.35 6.21 -30.83 0 5 0 57 327.409 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,6-dimethyl-1-[[4-(o-tolyl)thiazol-2-yl]methyl]pyrimidin-2-one 4,6-dimethyl-1-[[4-(o-tolyl)thia…

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) 2.72 7.58 -15.58 0 4 0 48 311.41 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[4-(2-fluorophenyl)thiazol-2-yl]methyl]-4,6-dimethyl-pyrimidin-2-one 1-[[4-(2-fluorophenyl)thiazol-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) 2.43 7.17 -31.21 0 4 0 48 315.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[4-(2,5-difluorophenyl)-5-methyl-thiazol-2-yl]methyl]-4,6-dimethyl-pyrimidin-2-one 1-[[4-(2,5-difluorophenyl)-5-met…

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) 2.79 7.74 -27.72 0 4 0 48 347.39 3 ↓

Parameters Provided:

ring.id = 296283
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 = 296283 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=296283&filter.purchasability=annotated

Embed Link to Results