UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[1-[2-(1H-imidazol-4-yl)ethylamino]ethylidene]-2-(4-methoxyphenyl)-5-phenyl-pyrazol-3-one 4-[1-[2-(1H-imidazol-4-yl)ethyla…

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) 3.02 9.97 -54.22 3 7 1 86 402.478 7 ↓
Mid Mid (pH 6-8) 3.50 -1.7 -35.67 2 7 1 84 402.478 7 ↓
Mid Mid (pH 6-8) 3.02 9.49 -20.23 2 7 0 85 401.47 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenyl)-4-[1-[2-(1H-imidazol-4-yl)ethylamino]ethylidene]-5-(4-methoxyphenyl)-pyrazol-3-on 2-(4-fluorophenyl)-4-[1-[2-(1H-i…

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) 3.18 10.05 -53.82 3 7 1 86 420.468 7 ↓
Mid Mid (pH 6-8) 3.18 9.56 -18.75 2 7 0 85 419.46 7 ↓
Mid Mid (pH 6-8) 3.66 -0.95 -38.28 2 7 1 84 420.468 7 ↓

Parameters Provided:

ring.id = 248770
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 = 248770 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=248770&filter.purchasability=annotated

Embed Link to Results