UCSF
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Analogs

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Popular Name: 1-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]-3-phenyl-imidazolidin-2-one 1-[2-(1,2-dihydroimidazo[1,2-a]b…

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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) 2.59 12.18 -20.15 0 7 0 62 361.405 3 ↓
Mid Mid (pH 6-8) 2.59 12.67 -40.23 1 7 1 63 362.413 3 ↓

Analogs

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Popular Name: 1-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]-3-(p-tolyl)imidazolidin-2-one 1-[2-(1,2-dihydroimidazo[1,2-a]b…

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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) 3.04 12.86 -20.18 0 7 0 62 375.432 3 ↓
Mid Mid (pH 6-8) 3.04 13.36 -40.19 1 7 1 63 376.44 3 ↓

Analogs

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Popular Name: 1-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]-3-(4-fluorophenyl)imidazolidin-2-one 1-[2-(1,2-dihydroimidazo[1,2-a]b…

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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) 2.75 12.26 -19.66 0 7 0 62 379.395 3 ↓
Mid Mid (pH 6-8) 2.75 12.75 -40.98 1 7 1 63 380.403 3 ↓

Analogs

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Popular Name: 1-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]-3-(2-fluorophenyl)imidazolidin-2-one 1-[2-(1,2-dihydroimidazo[1,2-a]b…

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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) 2.70 12.54 -21.37 0 7 0 62 379.395 3 ↓
Mid Mid (pH 6-8) 2.70 13.03 -40.54 1 7 1 63 380.403 3 ↓

Analogs

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Popular Name: 1-(3-chlorophenyl)-3-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]imidazolidin-2-one 1-(3-chlorophenyl)-3-[2-(1,2-dih…

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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) 3.24 12.71 -17.75 0 7 0 62 395.85 3 ↓
Mid Mid (pH 6-8) 3.24 13.2 -39.36 1 7 1 63 396.858 3 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)-3-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]imidazolidin-2-one 1-(4-chlorophenyl)-3-[2-(1,2-dih…

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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) 3.26 12.71 -19.13 0 7 0 62 395.85 3 ↓
Mid Mid (pH 6-8) 3.26 13.2 -40.34 1 7 1 63 396.858 3 ↓

Analogs

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Popular Name: 1-(3,4-difluorophenyl)-3-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]imidazolidin-2- 1-(3,4-difluorophenyl)-3-[2-(1,2…

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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 12.31 -17.82 0 7 0 62 397.385 3 ↓
Mid Mid (pH 6-8) 2.84 12.8 -41.19 1 7 1 63 398.393 3 ↓

Analogs

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Popular Name: 1-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]-3-(4-methoxyphenyl)imidazolidin-2-one 1-[2-(1,2-dihydroimidazo[1,2-a]b…

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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) 2.64 11.47 -20.43 0 8 0 71 391.431 4 ↓
Mid Mid (pH 6-8) 2.64 11.96 -41.22 1 8 1 72 392.439 4 ↓

Analogs

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Popular Name: 1-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]-3-(4-ethoxyphenyl)imidazolidin-2-one 1-[2-(1,2-dihydroimidazo[1,2-a]b…

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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 12.4 -20.33 0 8 0 71 405.458 5 ↓
Mid Mid (pH 6-8) 3.02 12.89 -41 1 8 1 72 406.466 5 ↓

Analogs

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Popular Name: 1-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]-3-(3,4-dimethoxyphenyl)imidazolidin-2 1-[2-(1,2-dihydroimidazo[1,2-a]b…

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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) 2.23 11.38 -22.05 0 9 0 80 421.457 5 ↓
Mid Mid (pH 6-8) 2.23 11.87 -43.76 1 9 1 81 422.465 5 ↓

Analogs

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Popular Name: 1-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]-3-(2,5-dimethoxyphenyl)imidazolidin-2 1-[2-(1,2-dihydroimidazo[1,2-a]b…

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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) 2.63 11.12 -23.57 0 9 0 80 421.457 5 ↓
Mid Mid (pH 6-8) 2.63 11.61 -42.19 1 9 1 81 422.465 5 ↓

Analogs

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Popular Name: 1-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxo-ethyl]-3-(4-isopropylphenyl)imidazolidin-2-o 1-[2-(1,2-dihydroimidazo[1,2-a]b…

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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) 4.10 14.11 -19.77 0 7 0 62 403.486 4 ↓
Mid Mid (pH 6-8) 4.10 14.59 -39.78 1 7 1 63 404.494 4 ↓

Parameters Provided:

ring.id = 558274
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 = 558274 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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