UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2783972
2783972

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-2-[[(4E)-1-ethyl-4-[(1-ethylpyrazol-4-yl)methylene]-5-keto-2-imidazolin-2-yl] N-(2,4-dimethylphenyl)-2-[[(4E)-…

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) 2.84 0.42 -18.42 1 7 0 81 411.531 7 ↓

Analogs

2785091
2785091
2786043
2786043
2786062
2786062
6401123
6401123
6789339
6789339

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-2-[[(4E)-1-ethyl-4-[(1-ethylpyrazol-4-yl)methylene]-5-keto-2-imidazolin-2-yl] N-(2,5-dimethylphenyl)-2-[[(4E)-…

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) 2.84 0.44 -18.61 1 7 0 81 411.531 7 ↓

Analogs

2783771
2783771

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dichlorophenyl)-2-[[(4E)-1-ethyl-4-[(1-ethylpyrazol-4-yl)methylene]-5-keto-2-imidazolin-2-yl] N-(2,4-dichlorophenyl)-2-[[(4E)-…

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) 3.30 9.77 -17.34 1 7 0 82 452.367 7 ↓

Analogs

2785938
2785938
2783972
2783972

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-2-[[(4E)-1-isobutyl-5-keto-4-[(1-methylpyrazol-4-yl)methylene]-2-imidazolin-2 N-(2,5-dimethylphenyl)-2-[[(4E)-…

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) 3.21 10.64 -17.87 1 7 0 82 425.558 7 ↓

Analogs

2785111
2785111
2785650
2785650
2785938
2785938

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-2-[[(4E)-4-[(1,3-dimethylpyrazol-4-yl)methylene]-1-isobutyl-5-keto-2-imidazol N-(2,4-dimethylphenyl)-2-[[(4E)-…

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) 3.43 10.87 -14.71 1 7 0 82 439.585 7 ↓

Analogs

2783771
2783771

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dichlorophenyl)-2-[[(4E)-5-keto-1-(3-methoxypropyl)-4-[(1-methylpyrazol-4-yl)methylene]-2-imi N-(2,4-dichlorophenyl)-2-[[(4E)-…

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) 2.80 8.74 -17.51 1 8 0 91 482.393 9 ↓

Analogs

2785622
2785622
2783771
2783771

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dichlorophenyl)-2-[[(4E)-4-[(1,3-dimethylpyrazol-4-yl)methylene]-5-keto-1-(3-methoxypropyl)-2 N-(2,4-dichlorophenyl)-2-[[(4E)-…

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 9.35 -14.03 1 8 0 91 496.42 9 ↓

Analogs

2785938
2785938
2785111
2785111
2785650
2785650

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-2-[[(4E)-4-[(1,3-dimethylpyrazol-4-yl)methylene]-5-keto-1-(3-methoxypropyl)-2 N-(2,5-dimethylphenyl)-2-[[(4E)-…

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) 2.56 9.77 -16.67 1 8 0 91 455.584 9 ↓

Analogs

2785943
2785943
2786062
2786062
6401123
6401123
6789339
6789339
2785103
2785103

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-2-[[(4E)-4-[(1,3-dimethylpyrazol-4-yl)methylene]-1-isobutyl-5-keto-2-imidazol N-(2,5-dimethylphenyl)-2-[[(4E)-…

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) 3.43 11.19 -16.38 1 7 0 82 439.585 7 ↓

Analogs

2785650
2785650
2785938
2785938

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-2-[[(4E)-4-[(1,3-dimethylpyrazol-4-yl)methylene]-5-keto-1-(3-methoxypropyl)-2 N-(2,4-dimethylphenyl)-2-[[(4E)-…

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) 2.56 9.75 -16.64 1 8 0 91 455.584 9 ↓

Analogs

2783972
2783972

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-2-[[(4E)-5-keto-1-(3-methoxypropyl)-4-[(1-methylpyrazol-4-yl)methylene]-2-imi N-(2,4-dimethylphenyl)-2-[[(4E)-…

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) 2.34 9.18 -20.1 1 8 0 91 441.557 9 ↓

Analogs

2783972
2783972
2785938
2785938

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-2-[[(4E)-1-isobutyl-5-keto-4-[(1-methylpyrazol-4-yl)methylene]-2-imidazolin-2 N-(2,4-dimethylphenyl)-2-[[(4E)-…

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) 3.21 0.69 -17.83 1 7 0 81 425.558 7 ↓

Analogs

2783771
2783771
2785111
2785111

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dichlorophenyl)-2-[[(4E)-4-[(1,3-dimethylpyrazol-4-yl)methylene]-1-isobutyl-5-keto-2-imidazol N-(2,4-dichlorophenyl)-2-[[(4E)-…

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) 3.89 10.42 -13.36 1 7 0 82 480.421 7 ↓

Parameters Provided:

ring.id = 234519
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 = 234519 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=234519&filter.purchasability=annotated

Embed Link to Results