UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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

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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) 1.67 5.34 -52.85 2 7 -1 103 359.365 3 ↓
Mid Mid (pH 6-8) 2.13 3.76 -146.37 1 7 -2 106 358.357 3 ↓
Mid Mid (pH 6-8) 2.13 3.49 -148.7 1 7 -2 106 358.357 3 ↓

Analogs

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

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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) 2.35 5.86 -49.7 2 7 -1 103 393.81 3 ↓
Mid Mid (pH 6-8) 2.81 4.01 -142.03 1 7 -2 106 392.802 3 ↓
Mid Mid (pH 6-8) 2.81 4.28 -139.87 1 7 -2 106 392.802 3 ↓

Analogs

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

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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) 2.48 5.96 -49.48 2 7 -1 103 438.261 3 ↓
Mid Mid (pH 6-8) 2.94 4.39 -139.55 1 7 -2 106 437.253 3 ↓
Mid Mid (pH 6-8) 2.94 4.11 -141.86 1 7 -2 106 437.253 3 ↓

Parameters Provided:

ring.id = 137079
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 = 137079 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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