UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(benzofuran-3-yl)-1H-pyrazol-5-amine 3-(benzofuran-3-yl)-1H-pyrazol-5…

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) 1.85 3.78 -8.07 3 4 0 68 199.213 1 ↓
Mid Mid (pH 6-8) 1.85 3.91 -30.96 4 4 1 69 200.221 1 ↓
Mid Mid (pH 6-8) 1.85 3.81 -10.44 3 4 0 68 199.213 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(benzofuran-3-yl)-2-methyl-pyrazol-3-amine 5-(benzofuran-3-yl)-2-methyl-pyr…

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) 1.92 5.18 -29.99 3 4 1 58 214.248 1 ↓
Mid Mid (pH 6-8) 1.92 5.06 -11.6 2 4 0 57 213.24 1 ↓

Parameters Provided:

ring.id = 495845
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 = 495845 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=495845&filter.purchasability=annotated

Embed Link to Results