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Analogs

19888976
19888976

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5R)-3-(aminomethyl)-N-cyclopentyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine (1S,5R)-3-(aminomethyl)-N-cyclop…

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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) 1.41 4.13 -116.44 4 3 2 35 253.434 3 ↓
Hi High (pH 8-9.5) 1.41 6.59 -29.37 3 3 1 34 252.426 3 ↓
Hi High (pH 8-9.5) 1.41 6.59 -100.04 4 3 2 35 253.434 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S,5R)-3-(cyclopentylamino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol [(1S,5R)-3-(cyclopentylamino)-8-…

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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) 1.73 3.98 -95.51 4 3 2 41 240.391 3 ↓
Hi High (pH 8-9.5) 1.73 1.64 -31.49 3 3 1 40 239.383 3 ↓
Hi High (pH 8-9.5) 1.73 2.89 -34.56 3 3 1 37 239.383 3 ↓

Parameters Provided:

ring.id = 139757
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 = 139757 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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