UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 8-ethoxy-N-(5-methyl-2-pyridyl)-2H-chromene-3-carboxamide 8-ethoxy-N-(5-methyl-2-pyridyl)-…

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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) 2.84 8.11 -15.41 1 5 0 60 310.353 4 ↓

Analogs

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Popular Name: 8-ethoxy-N-(4-methyl-2-pyridyl)-2H-chromene-3-carboxamide 8-ethoxy-N-(4-methyl-2-pyridyl)-…

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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) 2.78 8.14 -15.09 1 5 0 60 310.353 4 ↓

Analogs

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Popular Name: 8-ethoxy-N-(6-methyl-2-pyridyl)-2H-chromene-3-carboxamide 8-ethoxy-N-(6-methyl-2-pyridyl)-…

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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 8.06 -15.79 1 5 0 60 310.353 4 ↓

Analogs

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Popular Name: 8-ethoxy-N-(3-methoxy-2-pyridyl)-2H-chromene-3-carboxamide 8-ethoxy-N-(3-methoxy-2-pyridyl)…

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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) 2.39 6.9 -15.28 1 6 0 70 326.352 5 ↓

Analogs

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Popular Name: N-(6-methyl-2-pyridyl)-2H-chromene-3-carboxamide N-(6-methyl-2-pyridyl)-2H-chrome…

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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) 2.25 7.31 -14.36 1 4 0 51 266.3 2 ↓

Analogs

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Popular Name: 6-chloro-N-(3-methyl-2-pyridyl)-2H-chromene-3-carboxamide 6-chloro-N-(3-methyl-2-pyridyl)-…

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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) 3.25 8 -13.29 1 4 0 51 300.745 2 ↓

Parameters Provided:

ring.id = 161612
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 = 161612 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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