UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-[4-[3-(dimethylamino)pyrido[2,3-b]pyrazin-8-yl]oxy-2-fluoro 1-(5-tert-butyl-2-phenyl-pyrazol…

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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) 5.83 12.76 -18.91 2 10 0 110 540.603 7 ↓

Analogs

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Popular Name: 1-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-[2-fluoro-4-[(2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl 1-(5-tert-butyl-2-phenyl-pyrazol…

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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) 5.51 7.73 -53.2 2 10 -1 130 512.525 6 ↓

Analogs

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Popular Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-[(2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea 1-[5-tert-butyl-2-(p-tolyl)pyraz…

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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) 5.87 8.78 -51.97 3 10 0 131 509.57 6 ↓
Mid Mid (pH 6-8) 5.87 8.33 -59.1 2 10 -1 130 508.562 6 ↓

Analogs

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Popular Name: 1-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-[2-fluoro-4-[(3-methyl-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)o 1-(5-tert-butyl-2-phenyl-pyrazol…

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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) 5.73 8.4 -54.16 2 10 -1 130 526.552 6 ↓

Analogs

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Popular Name: 1-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-[2-methylsulfanyl-4-[(2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)ox 1-(5-tert-butyl-2-phenyl-pyrazol…

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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) 5.78 9.23 -45.95 3 10 0 131 541.637 7 ↓
Mid Mid (pH 6-8) 5.78 8.78 -54.14 2 10 -1 130 540.629 7 ↓

Analogs

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Popular Name: 1-[4-[(3-amino-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]-2-fluoro-phenyl]-3-[5-tert-butyl-2-(p-tolyl)p 1-[4-[(3-amino-2-oxo-1H-pyrido[2…

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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) 5.57 7.29 -52.29 4 11 -1 156 541.567 6 ↓

Parameters Provided:

ring.id = 188529
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 = 188529 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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