UCSF
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Analogs

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Popular Name: 3-bromo-N-[(1S)-2-[(2R,5S)-2-[(4-hydroxyphenyl)methyl]-5-methyl-2,3,5,6-tetrahydroimidazo[3,2-a]imid 3-bromo-N-[(1S)-2-[(2R,5S)-2-[(4…

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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) 3.98 11.27 -37.64 3 6 1 70 486.434 6 ↓

Analogs

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Popular Name: 3-bromo-N-[(1S)-2-[(2R,5S)-2-[(4-hydroxyphenyl)methyl]-5-isopropyl-2,3,5,6-tetrahydroimidazo[3,2-a]i 3-bromo-N-[(1S)-2-[(2R,5S)-2-[(4…

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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) 4.76 12.38 -37.95 3 6 1 70 514.488 7 ↓

Analogs

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Popular Name: 3-bromo-N-[2-[(2R,5S)-2-[(4-hydroxyphenyl)methyl]-5-isopropyl-2,3,5,6-tetrahydroimidazo[3,2-a]imidaz 3-bromo-N-[2-[(2R,5S)-2-[(4-hydr…

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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) 4.43 11.24 -38.49 3 6 1 70 500.461 7 ↓

Analogs

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Popular Name: 3-bromo-N-[(1S)-2-[(2R,5S)-2-[(4-methoxyphenyl)methyl]-5-methyl-2,3,5,6-tetrahydroimidazo[3,2-a]imid 3-bromo-N-[(1S)-2-[(2R,5S)-2-[(4…

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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) 4.52 13.42 -37.02 2 6 1 59 500.461 7 ↓

Analogs

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Popular Name: 3-bromo-N-[2-[(2S,5S)-5-isopropyl-2-[(4-methoxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[3,2-a]imidaz 3-bromo-N-[2-[(2S,5S)-5-isopropy…

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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) 4.97 13.3 -36.95 2 6 1 59 514.488 8 ↓

Analogs

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Popular Name: 3-bromo-N-[2-[(2S,5R)-2-[(4-methoxyphenyl)methyl]-5-methyl-2,3,5,6-tetrahydroimidazo[3,2-a]imidazol- 3-bromo-N-[2-[(2S,5R)-2-[(4-meth…

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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) 4.19 12.21 -36.55 2 6 1 59 486.434 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-N-[2-[(2R,5S)-2-[(4-hydroxyphenyl)methyl]-5-methyl-2,3,5,6-tetrahydroimidazo[3,2-a]imidazol- 3-bromo-N-[2-[(2R,5S)-2-[(4-hydr…

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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) 3.65 10.14 -38.18 3 6 1 70 472.407 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-N-[2-[(2R,5S)-2-[(4-methoxyphenyl)methyl]-5-methyl-2,3,5,6-tetrahydroimidazo[3,2-a]imidazol- 3-bromo-N-[2-[(2R,5S)-2-[(4-meth…

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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) 4.19 12.29 -37.61 2 6 1 59 486.434 7 ↓

Parameters Provided:

ring.id = 149553
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 = 149553 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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