UCSF
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Analogs

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Popular Name: (S)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl(6-quinolyl)methanamine (S)-5,6-dihydro-4H-cyclopenta[d]…

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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) 2.51 5.46 -10.42 2 3 0 52 281.384 2 ↓
Mid Mid (pH 6-8) 2.51 5.79 -48.99 3 3 1 53 282.392 2 ↓

Analogs

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Popular Name: (R)-5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl(6-quinolyl)methanamine (R)-5,6-dihydro-4H-cyclopenta[d]…

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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) 2.51 5.46 -9.87 2 3 0 52 281.384 2 ↓
Mid Mid (pH 6-8) 2.51 5.79 -48.89 3 3 1 53 282.392 2 ↓

Analogs

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Popular Name: (1S)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-methyl-1-(6-quinolyl)methanamine (1S)-1-(5,6-dihydro-4H-cyclopent…

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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) 2.89 6.34 -10.8 1 3 0 38 295.411 3 ↓
Mid Mid (pH 6-8) 2.89 7.51 -43.02 2 3 1 42 296.419 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-N-methyl-1-(6-quinolyl)methanamine (1R)-1-(5,6-dihydro-4H-cyclopent…

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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) 2.89 6.37 -8.96 1 3 0 38 295.411 3 ↓
Mid Mid (pH 6-8) 2.89 7.59 -43.48 2 3 1 42 296.419 3 ↓

Parameters Provided:

ring.id = 361179
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 = 361179 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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