Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_pqpf3pq6in6jdhnrmsbsrqh020, 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: 3,6-dichloro-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide 3,6-dichloro-N-[(R)-(2-methoxyph…

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) 3.34 7.41 -13.02 1 6 0 69 391.258 5 ↓
Lo Low (pH 4.5-6) 3.34 8.63 -27.76 2 6 1 70 392.266 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,6-dichloro-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide 3,6-dichloro-N-[(S)-(2-methoxyph…

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) 3.34 7.35 -13 1 6 0 69 391.258 5 ↓
Lo Low (pH 4.5-6) 3.34 7.97 -27.97 2 6 1 70 392.266 5 ↓

Analogs

25462221
25462221
25462509
25462509
25462515
25462515
25491884
25491884
25491888
25491888

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-N-[(S)-(1-methylimidazol-2-yl)-phenyl-methyl]pyridine-2-carboxamide 6-methyl-N-[(S)-(1-methylimidazo…

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 7.6 -13.01 1 5 0 60 306.369 4 ↓
Lo Low (pH 4.5-6) 1.35 8.07 -30.72 2 5 1 61 307.377 4 ↓

Analogs

25462509
25462509
25462515
25462515
25491884
25491884
25491888
25491888
6676820
6676820

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-N-[(R)-(1-methylimidazol-2-yl)-phenyl-methyl]pyridine-2-carboxamide 6-methyl-N-[(R)-(1-methylimidazo…

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 7.6 -12.97 1 5 0 60 306.369 4 ↓
Lo Low (pH 4.5-6) 1.35 8.08 -30.71 2 5 1 61 307.377 4 ↓

Analogs

48236874
48236874
48236876
48236876
12531814
12531814
12531812
12531812
25462221
25462221

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-6-methyl-pyridine-2-carboxamide N-[(S)-(4-fluorophenyl)-(1-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) 1.52 7.67 -12.65 1 5 0 60 324.359 4 ↓
Lo Low (pH 4.5-6) 1.52 8.14 -34.2 2 5 1 61 325.367 4 ↓

Analogs

48236874
48236874
48236876
48236876
12531814
12531814
12531812
12531812
25462221
25462221

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-6-methyl-pyridine-2-carboxamide N-[(R)-(4-fluorophenyl)-(1-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) 1.52 7.67 -12.63 1 5 0 60 324.359 4 ↓
Lo Low (pH 4.5-6) 1.52 8.15 -34.21 2 5 1 61 325.367 4 ↓

Parameters Provided:

ring.id = 46762
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 = 46762 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=46762&filter.purchasability=annotated

Embed Link to Results