UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-(2,4-difluorophenyl)-3-(2,5-dimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (7R)-7-(2,4-difluorophenyl)-3-(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) 3.41 6.54 -11.8 1 6 0 69 385.37 4 ↓
Ref Reference (pH 7) 3.23 9.19 -10.42 1 6 0 65 385.37 4 ↓
Lo Low (pH 4.5-6) 3.23 9.65 -37.74 2 6 1 67 386.378 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-(2,4-difluorophenyl)-3-(2,5-dimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (7S)-7-(2,4-difluorophenyl)-3-(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) 3.41 6.55 -11.78 1 6 0 69 385.37 4 ↓
Ref Reference (pH 7) 3.23 9.2 -10.37 1 6 0 65 385.37 4 ↓
Lo Low (pH 4.5-6) 3.23 9.66 -37.72 2 6 1 67 386.378 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(7R)-3-(2,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile 4-[(7R)-3-(2,4-dimethoxyphenyl)-…

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) 2.70 6.85 -13.92 1 7 0 93 374.4 4 ↓
Ref Reference (pH 7) 2.51 9.49 -13.65 1 7 0 89 374.4 4 ↓
Lo Low (pH 4.5-6) 2.70 7.31 -43.17 2 7 1 94 375.408 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(7S)-3-(2,4-dimethoxyphenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]benzonitrile 4-[(7S)-3-(2,4-dimethoxyphenyl)-…

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) 2.70 6.86 -13.69 1 7 0 93 374.4 4 ↓
Ref Reference (pH 7) 2.51 9.49 -13.36 1 7 0 89 374.4 4 ↓
Lo Low (pH 4.5-6) 2.70 7.32 -42.59 2 7 1 94 375.408 4 ↓

Analogs

36353205
36353205
36353206
36353206
36353734
36353734

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[(7S)-3-(3,5-difluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]phenoxy]acetamide 2-[3-[(7S)-3-(3,5-difluorophenyl…

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) 2.13 5.29 -17.63 3 7 0 103 398.369 5 ↓
Ref Reference (pH 7) 1.95 7.96 -17.94 3 7 0 99 398.369 5 ↓

Analogs

36353734
36353734
36354419
36354419
36354474
36354474

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[(7R)-3-(3,5-difluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]phenoxy]acetamide 2-[3-[(7R)-3-(3,5-difluorophenyl…

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) 2.13 5.29 -17.69 3 7 0 103 398.369 5 ↓
Ref Reference (pH 7) 1.95 7.93 -17.89 3 7 0 99 398.369 5 ↓

Parameters Provided:

ring.id = 582718
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 = 582718 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=582718&filter.purchasability=annotated

Embed Link to Results