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Analogs

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Popular Name: (4R)-1-methyl-N-[(1-methyltriazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (4R)-1-methyl-N-[(1-methyltriazo…

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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) -0.47 3.95 -47.46 2 6 1 65 247.326 3 ↓
Hi High (pH 8-9.5) -0.47 2.56 -13.04 1 6 0 61 246.318 3 ↓

Analogs

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Popular Name: (4S)-1-methyl-N-[(1-methyltriazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (4S)-1-methyl-N-[(1-methyltriazo…

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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) -0.47 3.94 -47.17 2 6 1 65 247.326 3 ↓
Hi High (pH 8-9.5) -0.47 2.55 -16.59 1 6 0 61 246.318 3 ↓

Analogs

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Popular Name: 2-[(4R)-4-[(1-methyltriazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4R)-4-[(1-methyltriazol-4-yl…

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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) -1.10 1.47 -49.62 3 7 1 85 277.352 5 ↓
Hi High (pH 8-9.5) -1.10 0.07 -13.49 2 7 0 81 276.344 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-4-[(1-methyltriazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol 2-[(4S)-4-[(1-methyltriazol-4-yl…

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) -1.10 1.46 -49.44 3 7 1 85 277.352 5 ↓
Hi High (pH 8-9.5) -1.10 0.07 -16.71 2 7 0 81 276.344 5 ↓

Parameters Provided:

ring.id = 157388
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 = 157388 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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