UCSF
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Analogs

16944317
16944317
16944322
16944322
1253565
1253565
1253566
1253566

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Popular Name: (2S)-1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-1-ium-2-ol (2S)-1-benzyl-2-phenyl-3H-imidaz…

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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) -1.01 10.57 -29.82 1 3 1 27 303.385 3 ↓
Ref Reference (pH 7) -0.48 9.08 -27.42 1 3 1 28 303.385 3 ↓
Hi High (pH 8-9.5) -0.48 9.53 -30.17 0 3 0 31 302.377 3 ↓

Analogs

16944317
16944317
16944322
16944322
1253565
1253565
1253566
1253566

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-benzyl-2-phenyl-3H-imidazo[1,2-a]pyridin-1-ium-2-ol (2R)-1-benzyl-2-phenyl-3H-imidaz…

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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) -1.01 10.6 -29.84 1 3 1 27 303.385 3 ↓
Ref Reference (pH 7) -0.48 10.69 -28.12 1 3 1 28 303.385 3 ↓
Hi High (pH 8-9.5) -0.48 11.13 -26.01 0 3 0 31 302.377 3 ↓

Analogs

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Popular Name: 3-Ethoxy-2,3-dihydroimidazo[1,2-a]pyridine-8-carbonitrile hydrochloride 3-Ethoxy-2,3-dihydroimidazo[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) 0.94 2.91 -14.85 0 4 0 50 189.218 2 ↓

Analogs

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Popular Name: 3-Ethoxy-2,3-dihydroimidazo[1,2-a]pyridine-8-carbonitrile hydrochloride 3-Ethoxy-2,3-dihydroimidazo[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) 0.94 2.89 -14.87 0 4 0 50 189.218 2 ↓

Analogs

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Popular Name: 2-[(2R,3S)-8-benzyloxy-2-methyl-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]acetonitrile 2-[(2R,3S)-8-benzyloxy-2-methyl-…

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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) 2.28 7.79 -12.1 0 4 0 50 279.343 4 ↓
Mid Mid (pH 6-8) 2.28 8.76 -33.23 1 4 1 52 280.351 4 ↓

Analogs

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Popular Name: 2-[(2S,3S)-8-benzyloxy-2-methyl-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]acetonitrile 2-[(2S,3S)-8-benzyloxy-2-methyl-…

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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) 2.28 7.95 -12.17 0 4 0 50 279.343 4 ↓
Mid Mid (pH 6-8) 2.28 8.92 -33.56 1 4 1 52 280.351 4 ↓

Analogs

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Popular Name: 2-[(2R,3R)-8-benzyloxy-2-methyl-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]acetonitrile 2-[(2R,3R)-8-benzyloxy-2-methyl-…

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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) 2.28 7.95 -12.18 0 4 0 50 279.343 4 ↓
Mid Mid (pH 6-8) 2.28 8.92 -33.55 1 4 1 52 280.351 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S,3R)-8-benzyloxy-2-methyl-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]acetonitrile 2-[(2S,3R)-8-benzyloxy-2-methyl-…

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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) 2.28 7.79 -12.11 0 4 0 50 279.343 4 ↓
Mid Mid (pH 6-8) 2.28 8.76 -33.22 1 4 1 52 280.351 4 ↓

Analogs

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Popular Name: 5-oxo-1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid 5-oxo-1,2,3,5-tetrahydroimidazo[…

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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) 0.65 3.28 -46.2 1 5 -1 82 179.155 1 ↓

Parameters Provided:

ring.id = 228524
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 228524 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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