UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(5-chloro-2-thienyl)methyl]-1-(2-methoxyethyl)-2-oxo-benzimidazole-5-carboxylic 3-[(5-chloro-2-thienyl)methyl]-1…

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) 3.38 9.72 -48.37 0 6 -1 76 365.818 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-bromo-2-thienyl)methyl]-3-propyl-benzimidazol-2-one 1-[(5-bromo-2-thienyl)methyl]-3-…

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) 4.51 10.92 -8.85 0 3 0 27 351.269 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-bromo-2-thienyl)methyl]-3-ethyl-benzimidazol-2-one 1-[(5-bromo-2-thienyl)methyl]-3-…

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) 4.01 10.16 -8.98 0 3 0 27 337.242 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-oxo-1-[(1S)-1-(2-thienyl)propyl]-3H-benzimidazole-5-carboxylic 2-oxo-1-[(1S)-1-(2-thienyl)propy…

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) 3.39 8.25 -47.62 1 5 -1 78 301.347 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-oxo-1-[(1R)-1-(2-thienyl)propyl]-3H-benzimidazole-5-carboxylic 2-oxo-1-[(1R)-1-(2-thienyl)propy…

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) 3.39 8.24 -47.61 1 5 -1 78 301.347 4 ↓

Parameters Provided:

ring.id = 396578
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 = 396578 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=396578&filter.purchasability=annotated

Embed Link to Results