UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 7-amino-6-(3-methylpyrazol-1-yl)-4H-1,4-benzoxazin-3-one 7-amino-6-(3-methylpyrazol-1-yl)…

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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) 0.74 1.85 -9.18 3 6 0 82 244.254 1 ↓

Analogs

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Popular Name: 7-amino-6-(3-isopropylpyrazol-1-yl)-4H-1,4-benzoxazin-3-one 7-amino-6-(3-isopropylpyrazol-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) 1.80 3.11 -8.82 3 6 0 82 272.308 2 ↓

Analogs

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Popular Name: 1-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide 1-(7-amino-3-oxo-4H-1,4-benzoxaz…

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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) -0.42 -1.98 -12.63 5 8 0 125 273.252 2 ↓

Analogs

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Popular Name: 1-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)-N-methyl-pyrazole-3-carboxamide 1-(7-amino-3-oxo-4H-1,4-benzoxaz…

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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) -0.05 -0.49 -12.83 4 8 0 111 287.279 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-4-carboxamide 1-(7-amino-3-oxo-4H-1,4-benzoxaz…

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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) -0.73 -1.98 -13.98 5 8 0 125 273.252 2 ↓

Parameters Provided:

ring.id = 28554
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 = 28554 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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