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Popular Name: (1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (1S)-N-[(2-methylpyrazol-3-yl)me…

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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) 1.08 6.5 -55.6 2 6 1 65 257.321 4 ↓
Mid Mid (pH 6-8) 1.08 5.21 -18.3 1 6 0 60 256.313 4 ↓

Analogs

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Popular Name: (1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (1R)-N-[(2-methylpyrazol-3-yl)me…

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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) 1.08 6.5 -55.32 2 6 1 65 257.321 4 ↓
Mid Mid (pH 6-8) 1.08 5.31 -19.06 1 6 0 60 256.313 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(1H-pyrazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (1S)-N-(1H-pyrazol-3-ylmethyl)-1…

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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 5.31 -54.29 3 6 1 75 243.294 4 ↓
Mid Mid (pH 6-8) 1.01 4.03 -17.17 2 6 0 71 242.286 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(1H-pyrazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (1R)-N-(1H-pyrazol-3-ylmethyl)-1…

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) 1.01 5.29 -54.52 3 6 1 75 243.294 4 ↓
Mid Mid (pH 6-8) 1.01 4.13 -17.91 2 6 0 71 242.286 4 ↓

Parameters Provided:

ring.id = 125611
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 = 125611 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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