UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 6-amino-7-(3-methylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-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) 1.38 3.79 -10.29 3 5 0 73 242.282 1 ↓

Analogs

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Popular Name: 6-amino-7-(3-isopropylpyrazol-1-yl)-3,4-dihydro-1H-quinolin-2-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) 2.44 5.06 -9.92 3 5 0 73 270.336 2 ↓

Analogs

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Popular Name: 1-(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrazole-3-carboxamide 1-(6-amino-2-oxo-3,4-dihydro-1H-…

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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) 0.22 -0.05 -13.7 5 7 0 116 271.28 2 ↓

Analogs

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Popular Name: 1-(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)-N-methyl-pyrazole-3-carboxamide 1-(6-amino-2-oxo-3,4-dihydro-1H-…

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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) 0.59 1.44 -13.97 4 7 0 102 285.307 2 ↓

Analogs

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Popular Name: 1-(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrazole-4-carboxamide 1-(6-amino-2-oxo-3,4-dihydro-1H-…

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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) -0.09 -0.03 -15.32 5 7 0 116 271.28 2 ↓

Parameters Provided:

ring.id = 28550
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 = 28550 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=28550&filter.purchasability=annotated

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