UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-ethyl-2-(5-isoquinolyloxymethyl)-N-methyl-oxazole-4-carboxamide N-ethyl-2-(5-isoquinolyloxymethy…

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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) 2.23 -0.08 -12.8 0 6 0 68 311.341 5 ↓

Analogs

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Popular Name: N-ethyl-2-(5-isoquinolyloxymethyl)-N-(2-methylprop-2-enyl)oxazole-4-carboxamide N-ethyl-2-(5-isoquinolyloxymethy…

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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) 3.43 1.32 -12.1 0 6 0 68 351.406 7 ↓

Analogs

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Popular Name: N-[(3S)-3-hydroxybutyl]-2-(5-isoquinolyloxymethyl)oxazole-4-carboxamide N-[(3S)-3-hydroxybutyl]-2-(5-iso…

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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) 1.25 0.34 -14.73 2 7 0 97 341.367 7 ↓
Lo Low (pH 4.5-6) 1.25 0.81 -42.31 3 7 1 99 342.375 7 ↓

Analogs

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Popular Name: N-[(3R)-3-hydroxybutyl]-2-(5-isoquinolyloxymethyl)oxazole-4-carboxamide N-[(3R)-3-hydroxybutyl]-2-(5-iso…

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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) 1.25 0.34 -14.44 2 7 0 97 341.367 7 ↓
Lo Low (pH 4.5-6) 1.25 0.81 -42.64 3 7 1 99 342.375 7 ↓

Analogs

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Popular Name: N-[(2S)-2-hydroxybutyl]-2-(5-isoquinolyloxymethyl)oxazole-4-carboxamide N-[(2S)-2-hydroxybutyl]-2-(5-iso…

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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) 1.85 0.37 -13.11 2 7 0 97 341.367 7 ↓
Lo Low (pH 4.5-6) 1.85 0.84 -40.74 3 7 1 99 342.375 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-hydroxybutyl]-2-(5-isoquinolyloxymethyl)oxazole-4-carboxamide N-[(2R)-2-hydroxybutyl]-2-(5-iso…

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Activity (Go SEA)

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) 1.85 0.42 -13.14 2 7 0 97 341.367 7 ↓
Lo Low (pH 4.5-6) 1.85 0.89 -40.69 3 7 1 99 342.375 7 ↓

Parameters Provided:

ring.id = 49993
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 = 49993 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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