UCSF
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Analogs

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

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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) 2.98 9.02 -38.46 3 6 1 70 385.532 7 ↓

Analogs

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Popular Name: (E)-N-[2-[(2R,5R)-2-[(4-hydroxyphenyl)methyl]-5-methyl-2,3,5,6-tetrahydroimidazo[3,2-a]imidazol-1-yl (E)-N-[2-[(2R,5R)-2-[(4-hydroxyp…

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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) 2.20 7.93 -37.92 3 6 1 70 357.478 6 ↓

Analogs

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Popular Name: (E)-N-[2-[(2S,5S)-2-[(4-methoxyphenyl)methyl]-5-methyl-2,3,5,6-tetrahydroimidazo[3,2-a]imidazol-1-yl (E)-N-[2-[(2S,5S)-2-[(4-methoxyp…

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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) 2.73 10.02 -36.66 2 6 1 59 371.505 7 ↓

Analogs

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Popular Name: (E)-N-[(1S)-2-[(2R,5S)-5-isopropyl-2-[(4-methoxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[3,2-a]imida (E)-N-[(1S)-2-[(2R,5S)-5-isoprop…

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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) 3.84 12.32 -37.48 2 6 1 59 413.586 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-[2-[(2S,5R)-2-[(4-methoxyphenyl)methyl]-5-methyl-2,3,5,6-tetrahydroimidazo[3,2-a]imidazol-1-yl (E)-N-[2-[(2S,5R)-2-[(4-methoxyp…

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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) 2.73 10.02 -36.54 2 6 1 59 371.505 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-N-[2-[(2S,5S)-5-isopropyl-2-[(4-methoxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[3,2-a]imidazol-1 (E)-N-[2-[(2S,5S)-5-isopropyl-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) 3.51 11.11 -36.88 2 6 1 59 399.559 8 ↓

Parameters Provided:

ring.id = 149569
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 = 149569 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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