UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-6-(4-fluorophenyl)-4-phenyl-2,4-cyclohexadiene-1,1,3-tricarbonitrile 2-amino-6-(4-fluorophenyl)-4-phe…

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) 3.66 9.62 -11.68 2 4 0 97 340.361 2 ↓
Mid Mid (pH 6-8) 3.75 3.6 -44.18 2 4 1 96 341.369 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-6-(4-fluorophenyl)-4-phenyl-2,4-cyclohexadiene-1,1,3-tricarbonitrile 2-amino-6-(4-fluorophenyl)-4-phe…

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) 3.66 9.51 -11.44 2 4 0 97 340.361 2 ↓
Mid Mid (pH 6-8) 3.75 8.67 -42.62 2 4 1 97 341.369 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-tert-butyl-6-methyl-4,6-diphenyl-2,4-cyclohexadien-1-yl)-2,2-dimethyl-1-propanone 1-(2-tert-butyl-6-methyl-4,6-dip…

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) 7.65 15.33 -8.12 0 1 0 17 386.579 5 ↓
Ref Reference (pH 7) 7.65 15.54 -7.18 0 1 0 17 386.579 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-tert-butyl-6-methyl-4,6-diphenyl-2,4-cyclohexadien-1-yl)-2,2-dimethyl-1-propanone 1-(2-tert-butyl-6-methyl-4,6-dip…

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) 7.65 15.6 -7.17 0 1 0 17 386.579 5 ↓
Ref Reference (pH 7) 7.65 15.38 -7.97 0 1 0 17 386.579 5 ↓

Parameters Provided:

ring.id = 220892
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 = 220892 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=220892&filter.purchasability=annotated

Embed Link to Results