UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39963957
39963957
39963958
39963958
39963959
39963959
39963960
39963960
39963961
39963961

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Popular Name: 2-[(1R)-3-(2-methoxyethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-phenyl-acetamide 2-[(1R)-3-(2-methoxyethyl)-2-oxo…

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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) 2.15 10.81 -17.04 1 7 0 76 364.405 6 ↓

Analogs

39963957
39963957
39963958
39963958
39963959
39963959
39963960
39963960
39963961
39963961

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Popular Name: 2-[(1S)-3-(2-methoxyethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-phenyl-acetamide 2-[(1S)-3-(2-methoxyethyl)-2-oxo…

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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) 2.15 10.76 -16.98 1 7 0 76 364.405 6 ↓

Analogs

39963962
39963962
39963963
39963963

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Popular Name: 2-[(1R)-3-(2-methoxyethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide 2-[(1R)-3-(2-methoxyethyl)-2-oxo…

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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) 2.21 9.98 -16.56 1 8 0 86 394.431 7 ↓
Mid Mid (pH 6-8) 2.21 10.45 -35.03 2 8 1 87 395.439 7 ↓

Analogs

39963962
39963962
39963963
39963963
39964098
39964098
39964099
39964099

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-3-(2-methoxyethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide 2-[(1S)-3-(2-methoxyethyl)-2-oxo…

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) 2.21 9.98 -16.19 1 8 0 86 394.431 7 ↓
Mid Mid (pH 6-8) 2.21 10.45 -34.34 2 8 1 87 395.439 7 ↓

Parameters Provided:

ring.id = 12320
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 = 12320 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=12320&filter.purchasability=annotated

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