Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_f1dfl9mrkje7oi02mf7blqdao5, 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

6914459
6914459

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[1-(4-fluorophenyl)-5-methyl-triazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide N-[3-[1-(4-fluorophenyl)-5-methy…

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) 2.92 7.98 -12.62 1 7 0 86 380.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[1-(2-chlorophenyl)-5-methyl-triazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methoxy-benzamide N-[3-[1-(2-chlorophenyl)-5-methy…

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) 3.65 7.89 -16.08 1 8 0 95 426.889 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[1-(4-ethoxyphenyl)-5-methyl-triazol-4-yl]-1,2,4-thiadiazol-5-yl]-4-methoxy-benzamide N-[3-[1-(4-ethoxyphenyl)-5-methy…

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) 3.24 7.46 -13.94 1 9 0 104 436.497 7 ↓

Analogs

6914597
6914597

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[1-(3-fluorophenyl)-5-methyl-triazol-4-yl]-1,2,4-thiadiazol-5-yl]-3-methyl-benzamide N-[3-[1-(3-fluorophenyl)-5-methy…

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) 3.53 8.68 -14.51 1 7 0 86 394.435 4 ↓

Analogs

20597805
20597805

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[3-[5-methyl-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide 3-methyl-N-[3-[5-methyl-1-[3-(tr…

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) 4.26 9.62 -15 1 7 0 86 444.442 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[1-(4-ethoxyphenyl)-5-methyl-triazol-4-yl]-1,2,4-thiadiazol-5-yl]-3-methyl-benzamide N-[3-[1-(4-ethoxyphenyl)-5-methy…

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) 3.61 8.81 -13.22 1 8 0 95 420.498 6 ↓

Parameters Provided:

ring.id = 503561
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 = 503561 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=503561&filter.purchasability=annotated

Embed Link to Results