UCSF
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Analogs

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Popular Name: 4-hydroxy-1-methyl-3-[(4Z)-4-[[(4-nitrophenyl)amino]methylene]-5-oxo-1H-pyrazol-3-yl]quinolin-2-one 4-hydroxy-1-methyl-3-[(4Z)-4-[[(…

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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) 2.15 2.99 -40.2 2 10 -1 152 404.362 4 ↓
Mid Mid (pH 6-8) 1.94 5.73 -40.68 2 10 -1 152 404.362 3 ↓

Analogs

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Popular Name: 3-[(4Z)-4-[[(2,5-dichlorophenyl)amino]methylene]-5-oxo-1H-pyrazol-3-yl]-4-hydroxy-1-methyl-quinolin- 3-[(4Z)-4-[[(2,5-dichlorophenyl)…

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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) 3.48 3.61 -44.44 2 7 -1 106 428.255 3 ↓
Mid Mid (pH 6-8) 3.27 6.14 -45.72 2 7 -1 106 428.255 2 ↓
Mid Mid (pH 6-8) 3.41 4.57 -144.59 1 7 -2 106 427.247 3 ↓

Parameters Provided:

ring.id = 137093
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 = 137093 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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