UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-amino-7-(3-methylpyrazol-1-yl)-3H-quinazolin-4-one 6-amino-7-(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 3.57 -12.69 3 6 0 90 241.254 1 ↓
Hi High (pH 8-9.5) 1.20 1.52 -45.13 2 6 -1 93 240.246 1 ↓

Analogs

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Popular Name: 6-amino-7-(3-isopropylpyrazol-1-yl)-3H-quinazolin-4-one 6-amino-7-(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 4.84 -12.29 3 6 0 90 269.308 2 ↓
Hi High (pH 8-9.5) 2.25 2.79 -44.97 2 6 -1 93 268.3 2 ↓

Analogs

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

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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 -0.25 -14.88 5 8 0 133 270.252 2 ↓
Hi High (pH 8-9.5) 0.03 -2.32 -43.65 4 8 -1 136 269.244 2 ↓

Analogs

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

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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 1.24 -15.09 4 8 0 119 284.279 2 ↓
Hi High (pH 8-9.5) 0.41 -0.83 -43.91 3 8 -1 122 283.271 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

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

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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 -0.25 -16.97 5 8 0 133 270.252 2 ↓
Hi High (pH 8-9.5) -0.28 -2.29 -48.91 4 8 -1 136 269.244 2 ↓

Parameters Provided:

ring.id = 28551
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 = 28551 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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