UCSF
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16732714
16732714
33763571
33763571
34990347
34990347
3652507
3652507

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Popular Name: 9-methyl-2-(4-methylpiperazin-1-yl)-3-[(Z)-(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]pyrido[2,1-b 9-methyl-2-(4-methylpiperazin-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) 1.84 8.33 -67.21 1 7 0 78 401.517 2 ↓
Mid Mid (pH 6-8) 1.84 5.87 -55.16 0 7 -1 77 400.509 2 ↓

Parameters Provided:

ring.id = 145469
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 = 145469 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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