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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methyl methyl

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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) 1.92 2.8 -16.49 0 8 0 95 355.35 7 ↓

Analogs

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Popular Name: 5-(5-isoquinolyloxymethyl)-N-(2-methoxyethyl)isoxazole-3-carboxamide 5-(5-isoquinolyloxymethyl)-N-(2-…

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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) 1.79 -1.33 -13.28 1 7 0 86 327.34 7 ↓

Analogs

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Popular Name: N-[(3S)-3-hydroxybutyl]-5-(5-isoquinolyloxymethyl)isoxazole-3-carboxamide N-[(3S)-3-hydroxybutyl]-5-(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) 1.45 2.7 -13.68 2 7 0 97 341.367 7 ↓
Lo Low (pH 4.5-6) 1.45 3.17 -41.34 3 7 1 99 342.375 7 ↓

Analogs

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Popular Name: N-[(3R)-3-hydroxybutyl]-5-(5-isoquinolyloxymethyl)isoxazole-3-carboxamide N-[(3R)-3-hydroxybutyl]-5-(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) 1.45 2.7 -13.8 2 7 0 97 341.367 7 ↓
Lo Low (pH 4.5-6) 1.45 3.17 -41.15 3 7 1 99 342.375 7 ↓

Analogs

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Popular Name: 5-(5-isoquinolyloxymethyl)-N-[(2S)-2-methoxybutyl]isoxazole-3-carboxamide 5-(5-isoquinolyloxymethyl)-N-[(2…

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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) 2.66 5.21 -12.47 1 7 0 86 355.394 8 ↓
Lo Low (pH 4.5-6) 2.66 5.48 -39.92 2 7 1 88 356.402 8 ↓

Analogs

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Popular Name: 5-(5-isoquinolyloxymethyl)-N-[(2R)-2-methoxybutyl]isoxazole-3-carboxamide 5-(5-isoquinolyloxymethyl)-N-[(2…

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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) 2.66 5.01 -12.29 1 7 0 86 355.394 8 ↓
Lo Low (pH 4.5-6) 2.66 5.47 -40.14 2 7 1 88 356.402 8 ↓

Analogs

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Popular Name: N-[2-(isopropylamino)-2-oxo-ethyl]-5-(5-isoquinolyloxymethyl)isoxazole-3-carboxamide N-[2-(isopropylamino)-2-oxo-ethy…

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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) 2.09 3.78 -15.83 2 8 0 106 368.393 7 ↓
Lo Low (pH 4.5-6) 2.09 4.24 -43.18 3 8 1 108 369.401 7 ↓

Parameters Provided:

ring.id = 59483
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 = 59483 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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