UCSF
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Analogs

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Popular Name: (2S,4R)-1-[(3-chlorophenyl)methyl]-4-[(9-ethylcarbazol-3-yl)methylamino]-N-isopropyl-pyrrolidine-2-c (2S,4R)-1-[(3-chlorophenyl)methy…

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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) 5.41 13.47 -55.09 3 5 1 54 504.098 8 ↓
Hi High (pH 8-9.5) 5.41 12.51 -12.92 2 5 0 49 503.09 8 ↓
Lo Low (pH 4.5-6) 5.41 15.59 -137.33 4 5 2 55 505.106 8 ↓

Analogs

19635303
19635303

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Popular Name: (2S,4R)-1-benzyl-4-[(9-ethylcarbazol-3-yl)methylamino]-N-methyl-pyrrolidine-2-carboxamide (2S,4R)-1-benzyl-4-[(9-ethylcarb…

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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) 4.09 12.22 -41.64 3 5 1 50 441.599 7 ↓
Lo Low (pH 4.5-6) 4.09 13.43 -135.51 4 5 2 55 442.607 7 ↓

Parameters Provided:

ring.id = 139606
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 = 139606 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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