UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4E)-4-[[5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazol-4-yl]methylene]-2-ethyl-1,3-dihydroben (4E)-4-[[5-chloro-1-[(4-fluoroph…

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) 5.21 14.92 -49.51 1 6 0 75 490.966 5 ↓
Mid Mid (pH 6-8) 5.21 12.67 -57.16 0 6 -1 74 489.958 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4E)-4-[[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methylene]-2-ethyl-1,3-dihydrobenzo[b] (4E)-4-[[1-[(2-chlorophenyl)meth…

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) 5.10 15.38 -51.31 1 6 0 75 487.003 5 ↓
Mid Mid (pH 6-8) 5.10 13.12 -60.5 0 6 -1 74 485.995 5 ↓

Parameters Provided:

ring.id = 284996
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 = 284996 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=284996&filter.purchasability=annotated

Embed Link to Results