UCSF
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Popular Name: N-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-N'-(oxoBLAHyl)oxamide N-[(2R)-2-(4-methylpiperazin-1-y…

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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) 0.67 7.22 -45.33 3 9 1 91 479.605 6 ↓
Mid Mid (pH 6-8) 0.67 6.97 -43.95 3 9 1 91 479.605 6 ↓
Mid Mid (pH 6-8) 0.67 4.85 -12.56 2 9 0 90 478.597 6 ↓

Analogs

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Popular Name: N-[(2S)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-N'-(oxoBLAHyl)oxamide N-[(2S)-2-(4-methylpiperazin-1-y…

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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) 0.67 7.29 -45.91 3 9 1 91 479.605 6 ↓
Mid Mid (pH 6-8) 0.67 4.93 -12.67 2 9 0 90 478.597 6 ↓
Mid Mid (pH 6-8) 0.67 7.04 -44.36 3 9 1 91 479.605 6 ↓

Parameters Provided:

ring.id = 573697
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 = 573697 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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