UCSF
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Popular Name: (2S)-4-(2-furyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine (2S)-4-(2-furyl)-N-[(1S)-1-([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) 2.65 9.15 -47.29 2 5 1 60 285.371 6 ↓
Hi High (pH 8-9.5) 2.65 8.15 -15.36 1 5 0 55 284.363 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-(2-furyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine (2R)-4-(2-furyl)-N-[(1S)-1-([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) 2.65 8.91 -45.93 2 5 1 60 285.371 6 ↓
Hi High (pH 8-9.5) 2.65 8.27 -16.59 1 5 0 55 284.363 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-4-(2-furyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine (2S)-4-(2-furyl)-N-[(1R)-1-([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) 2.65 8.92 -47.62 2 5 1 60 285.371 6 ↓
Hi High (pH 8-9.5) 2.65 8.03 -14.72 1 5 0 55 284.363 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-4-(2-furyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine (2R)-4-(2-furyl)-N-[(1R)-1-([1,2…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.65 9.15 -47.25 2 5 1 60 285.371 6 ↓
Hi High (pH 8-9.5) 2.65 8.19 -15.49 1 5 0 55 284.363 6 ↓

Parameters Provided:

ring.id = 125630
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 = 125630 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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