UCSF
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Analogs

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Popular Name: 6-bromo-2-[(3S)-3-methyl-3-piperidyl]-3H-imidazo[4,5-b]pyridine 6-bromo-2-[(3S)-3-methyl-3-piper…

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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) 2.02 4.96 -45.62 3 4 1 58 296.192 1 ↓
Mid Mid (pH 6-8) 2.02 4.46 -48.76 2 4 0 56 295.184 1 ↓

Analogs

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Popular Name: 6-bromo-2-[(3R)-3-methyl-3-piperidyl]-3H-imidazo[4,5-b]pyridine 6-bromo-2-[(3R)-3-methyl-3-piper…

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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) 2.02 4.97 -45.9 3 4 1 58 296.192 1 ↓
Mid Mid (pH 6-8) 2.02 4.46 -48.74 2 4 0 56 295.184 1 ↓

Analogs

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Popular Name: 6-bromo-2-[(3S)-3-ethyl-3-piperidyl]-3H-imidazo[4,5-b]pyridine 6-bromo-2-[(3S)-3-ethyl-3-piperi…

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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) 2.35 5.64 -46.07 3 4 1 58 310.219 2 ↓
Mid Mid (pH 6-8) 2.35 5.45 -48.27 2 4 0 56 309.211 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-bromo-2-[(3R)-3-ethyl-3-piperidyl]-3H-imidazo[4,5-b]pyridine 6-bromo-2-[(3R)-3-ethyl-3-piperi…

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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) 2.35 5.18 -46.27 3 4 1 58 310.219 2 ↓
Mid Mid (pH 6-8) 2.35 5.46 -48.24 2 4 0 56 309.211 2 ↓

Analogs

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Popular Name: 6-bromo-2-[(3S)-3-propyl-3-piperidyl]-3H-imidazo[4,5-b]pyridine 6-bromo-2-[(3S)-3-propyl-3-piper…

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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) 2.90 6.4 -46.51 3 4 1 58 324.246 3 ↓
Mid Mid (pH 6-8) 2.90 6.21 -48.38 2 4 0 56 323.238 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-bromo-2-[(3R)-3-propyl-3-piperidyl]-3H-imidazo[4,5-b]pyridine 6-bromo-2-[(3R)-3-propyl-3-piper…

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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) 2.90 5.94 -46.79 3 4 1 58 324.246 3 ↓
Mid Mid (pH 6-8) 2.90 6.22 -48.32 2 4 0 56 323.238 3 ↓

Analogs

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Popular Name: 2-[(3S)-3-methyl-3-piperidyl]-3H-imidazo[4,5-b]pyridine 2-[(3S)-3-methyl-3-piperidyl]-3H…

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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) 1.07 4.36 -46.01 3 4 1 58 217.296 1 ↓

Analogs

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Popular Name: 2-[(3R)-3-methyl-3-piperidyl]-3H-imidazo[4,5-b]pyridine 2-[(3R)-3-methyl-3-piperidyl]-3H…

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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) 1.07 4.37 -46.37 3 4 1 58 217.296 1 ↓

Analogs

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Popular Name: 2-[(3S)-3-ethyl-3-piperidyl]-3H-imidazo[4,5-b]pyridine 2-[(3S)-3-ethyl-3-piperidyl]-3H-…

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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) 1.39 5.05 -46.48 3 4 1 58 231.323 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-ethyl-3-piperidyl]-3H-imidazo[4,5-b]pyridine 2-[(3R)-3-ethyl-3-piperidyl]-3H-…

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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) 1.39 4.6 -46.73 3 4 1 58 231.323 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-3-propyl-3-piperidyl]-3H-imidazo[4,5-b]pyridine 2-[(3S)-3-propyl-3-piperidyl]-3H…

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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) 1.95 5.81 -46.88 3 4 1 58 245.35 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3R)-3-propyl-3-piperidyl]-3H-imidazo[4,5-b]pyridine 2-[(3R)-3-propyl-3-piperidyl]-3H…

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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) 1.95 5.34 -47.13 3 4 1 58 245.35 3 ↓

Parameters Provided:

ring.id = 295398
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 = 295398 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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