UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1H-imidazol-5-ylmethylamino)-1,3-dihydrobenzimidazol-2-one 5-(1H-imidazol-5-ylmethylamino)-…

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) 0.53 1.95 -46.72 5 6 1 91 230.251 3 ↓
Mid Mid (pH 6-8) 0.53 1.47 -12.77 4 6 0 89 229.243 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-6-(1H-imidazol-5-ylmethylamino)-1,3-dihydrobenzimidazol-2-one 5-bromo-6-(1H-imidazol-5-ylmethy…

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) 1.27 2.17 -11.95 4 6 0 89 308.139 3 ↓
Mid Mid (pH 6-8) 1.27 2.68 -45.01 5 6 1 91 309.147 3 ↓

Parameters Provided:

ring.id = 152533
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 = 152533 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=152533&filter.purchasability=annotated

Embed Link to Results