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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3840269
3840269
3840268
3840268

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(8aS)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]benzonitrile 3-[(8aS)-1,3-dioxo-6,7,8,8a-tetr…

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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) 1.74 7.12 -10.27 0 5 0 64 255.277 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(8aR)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]benzonitrile 3-[(8aR)-1,3-dioxo-6,7,8,8a-tetr…

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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) 1.74 7.12 -10.24 0 5 0 64 255.277 1 ↓

Analogs

3838454
3838454
3840260
3840260

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(8aS)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]benzonitrile 4-[(8aS)-1,3-dioxo-6,7,8,8a-tetr…

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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) 1.77 7.13 -9.21 0 5 0 64 255.277 1 ↓

Analogs

3838454
3838454
3840260
3840260

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(8aR)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl]benzonitrile 4-[(8aR)-1,3-dioxo-6,7,8,8a-tetr…

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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) 1.77 7.14 -9.18 0 5 0 64 255.277 1 ↓

Analogs

40556418
40556418
52584297
52584297
52584304
52584304
2183633
2183633

Draw Identity 99% 90% 80% 70%

Popular Name: (8aS)-2-(2-methoxyphenyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (8aS)-2-(2-methoxyphenyl)-6,7,8,…

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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) 2.02 6.29 -14.18 0 5 0 50 260.293 2 ↓

Analogs

40556418
40556418
52584297
52584297
52584304
52584304
2183633
2183633

Draw Identity 99% 90% 80% 70%

Popular Name: (8aR)-2-(2-methoxyphenyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (8aR)-2-(2-methoxyphenyl)-6,7,8,…

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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) 2.02 6.28 -13.92 0 5 0 50 260.293 2 ↓

Parameters Provided:

ring.id = 111494
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 = 111494 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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