UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one 3-[3-[(E)-3-(4-hydroxy-3-methoxy…

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) 3.99 10.07 -25.42 2 6 0 84 412.445 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-methoxyphenyl)-3-[3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one 5-(4-methoxyphenyl)-3-[3-[(E)-3-…

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) 4.34 11.39 -27.59 1 8 0 92 486.524 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-chlorophenyl)-3-[3-[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one 5-(4-chlorophenyl)-3-[3-[(E)-3-(…

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) 4.66 10.59 -25.93 2 6 0 84 446.89 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]-5-phenyl-1H-imidazol-2-one 3-[3-[(E)-3-(3-hydroxyphenyl)pro…

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) 4.14 10.06 -24.76 2 5 0 75 382.419 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]phenyl]-5-(4-methoxyphenyl)-1H-imidazol-2-one 3-[3-[(E)-3-(4-hydroxy-3-methoxy…

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) 4.04 9.36 -26.47 2 7 0 94 442.471 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-phenyl-3-[3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one 5-phenyl-3-[3-[(E)-3-(3,4,5-trim…

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) 4.28 12.08 -26.58 1 7 0 83 456.498 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-chlorophenyl)-3-[3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-one 5-(4-chlorophenyl)-3-[3-[(E)-3-(…

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) 4.96 12.6 -27.04 1 7 0 83 490.943 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3,4,5-trimethoxyphenyl)-3-[3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]-1H-imidazol-2-on 5-(3,4,5-trimethoxyphenyl)-3-[3-…

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) 3.91 11.2 -31.53 1 10 0 110 546.576 11 ↓

Parameters Provided:

ring.id = 187168
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 = 187168 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=187168&filter.purchasability=annotated

Embed Link to Results