UCSF
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Analogs

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Popular Name: N-[2-[(3S,6R)-3,6-bis[(4-hydroxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[2,1-b]imidazol-7-yl]ethyl]- N-[2-[(3S,6R)-3,6-bis[(4-hydroxy…

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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) 4.75 11.23 -43.58 4 7 1 90 505.683 10 ↓

Analogs

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Popular Name: N-[2-[(3R,6R)-3-benzyl-6-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[2,1-b]imidazol-7-yl]eth N-[2-[(3R,6R)-3-benzyl-6-[(4-hyd…

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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) 5.23 14.02 -41.1 3 6 1 70 489.684 10 ↓

Analogs

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

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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) 5.76 16.23 -40.51 2 6 1 59 503.711 11 ↓

Analogs

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

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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) 5.76 16.21 -40.9 2 6 1 59 503.711 11 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3S,6R)-3-benzyl-6-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[2,1-b]imidazol-7-yl]eth N-[2-[(3S,6R)-3-benzyl-6-[(4-hyd…

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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) 5.23 14.1 -40.69 3 6 1 70 489.684 10 ↓

Analogs

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Popular Name: N-[(1S)-2-[(2R,5S)-5-benzyl-2-[(4-hydroxyphenyl)methyl]-2,3,5,6-tetrahydroimidazo[3,2-a]imidazol-1-y N-[(1S)-2-[(2R,5S)-5-benzyl-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) 5.56 15.22 -40.76 3 6 1 70 503.711 10 ↓

Parameters Provided:

ring.id = 149554
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 = 149554 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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