UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxylic 2-(4-phenylphenyl)imidazo[1,2-a]…

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) 4.29 12.77 -68.76 0 4 -1 57 313.336 3 ↓
Mid Mid (pH 6-8) 4.29 13.17 -43.7 1 4 0 59 314.344 3 ↓

Analogs

2599587
2599587
31973105
31973105
31973106
31973106
31973107
31973107
31973117
31973117

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-Biphenyl-4-yl-imidazo[1,2-a]pyridin-3-yl)acrylic acid 3-(2-Biphenyl-4-yl-imidazo[1,2-a…

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) 4.80 12.45 -57.93 1 4 0 59 340.382 4 ↓

Analogs

2599595
2599595
31973159
31973159
31973161
31973161
31973165
31973165
31973168
31973168

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-Biphenyl-4-yl-7-methyl-imidazo[1,2-a]pyridin-3-yl)-acrylic acid 3-(2-Biphenyl-4-yl-7-methyl-imid…

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) 5.20 13.11 -55.38 1 4 0 59 354.409 4 ↓

Analogs

2599604
2599604
31973105
31973105
31973106
31973106
31973117
31973117
31973135
31973135

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-Biphenyl-4-yl-8-methyl-imidazo[1,2-a]pyridin-3-yl)-acrylic acid 3-(2-Biphenyl-4-yl-8-methyl-imid…

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) 5.20 13.07 -55.21 1 4 0 59 354.409 4 ↓

Analogs

2599671
2599671
31973135
31973135
31973136
31973136
31973137
31973137
31973140
31973140

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic (E)-3-[6-methyl-2-(4-phenylpheny…

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) 5.20 13.23 -57.24 1 4 0 59 354.409 4 ↓

Parameters Provided:

ring.id = 36479
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 = 36479 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=36479&filter.purchasability=annotated

Embed Link to Results