Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_70a8okljvtutpvho1t4d3neqk5, 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: 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]morpholine 4-[(6-chloroimidazo[1,2-a]pyridi…

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) 1.82 4.56 -7.44 0 4 0 30 251.717 2 ↓
Mid Mid (pH 6-8) 1.82 5.29 -29.54 1 4 1 31 252.725 2 ↓
Lo Low (pH 4.5-6) 1.82 6.81 -36.74 1 4 1 31 252.725 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methyl-morpholine (3R)-4-(imidazo[1,2-a]pyridin-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) 1.52 5.39 -27.9 1 4 1 31 232.307 2 ↓
Hi High (pH 8-9.5) 1.52 4.65 -9.72 0 4 0 30 231.299 2 ↓
Lo Low (pH 4.5-6) 1.52 6.82 -33.72 1 4 1 31 232.307 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methyl-morpholine (3S)-4-(imidazo[1,2-a]pyridin-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) 1.52 5.1 -27.81 1 4 1 31 232.307 2 ↓
Hi High (pH 8-9.5) 1.52 4.94 -9.61 0 4 0 30 231.299 2 ↓
Lo Low (pH 4.5-6) 1.52 7.15 -33.35 1 4 1 31 232.307 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 1.78 6.53 -14.14 0 6 0 56 303.362 4 ↓
Mid Mid (pH 6-8) 1.78 8.47 -43.94 1 6 1 57 304.37 4 ↓
Mid Mid (pH 6-8) 1.78 7.28 -34.2 1 6 1 57 304.37 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]morpholine 4-[(6-fluoroimidazo[1,2-a]pyridi…

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) 1.30 4.12 -7.54 0 4 0 30 235.262 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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) 1.78 6.15 -13.63 0 6 0 56 303.362 4 ↓
Mid Mid (pH 6-8) 1.78 6.31 -33.73 1 6 1 57 304.37 4 ↓
Mid Mid (pH 6-8) 1.78 8.28 -40.25 1 6 1 57 304.37 4 ↓

Analogs

41162236
41162236
41162237
41162237

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholin-2-yl]-N,N-dimethyl-methanamine 1-[(2R)-4-(imidazo[1,2-a]pyridin…

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) 1.21 6.95 -72.55 2 5 2 35 276.384 4 ↓
Hi High (pH 8-9.5) 1.21 3.76 -10.45 0 5 0 33 274.368 4 ↓
Mid Mid (pH 6-8) 1.21 6.21 -38.17 1 5 1 34 275.376 4 ↓

Analogs

41162236
41162236
41162237
41162237

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2S)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholin-2-yl]-N,N-dimethyl-methanamine 1-[(2S)-4-(imidazo[1,2-a]pyridin…

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) 1.21 6.7 -72.13 2 5 2 35 276.384 4 ↓
Hi High (pH 8-9.5) 1.21 4.01 -10.16 0 5 0 33 274.368 4 ↓
Mid Mid (pH 6-8) 1.21 6.54 -39.26 1 5 1 34 275.376 4 ↓

Parameters Provided:

ring.id = 186663
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 = 186663 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=186663&filter.purchasability=annotated

Embed Link to Results