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Analogs

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Popular Name: (1R,5S)-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-[(1S)-2-cyclopropyl-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) 2.37 7.86 -97.67 3 2 2 21 224.392 4 ↓
Mid Mid (pH 6-8) 2.37 5.49 -34.94 2 2 1 20 223.384 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-[(1R)-2-cyclopropyl-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) 2.37 7.87 -99.14 3 2 2 21 224.392 4 ↓
Mid Mid (pH 6-8) 2.37 5.51 -35.82 2 2 1 20 223.384 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-N-[(1S)-1-(cyclopropylmethyl)propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-[(1S)-1-(cyclopropylme…

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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 8.08 -96.94 3 2 2 21 238.419 5 ↓
Mid Mid (pH 6-8) 2.90 5.71 -33.37 2 2 1 20 237.411 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-N-[(1R)-1-(cyclopropylmethyl)propyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (1R,5S)-N-[(1R)-1-(cyclopropylme…

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) 2.90 8.76 -96.4 3 2 2 21 238.419 5 ↓
Mid Mid (pH 6-8) 2.90 6.4 -30.34 2 2 1 20 237.411 5 ↓

Parameters Provided:

ring.id = 384825
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 = 384825 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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