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

Analogs

34976028
34976028

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Popular Name: 4-methyl-3-[2-(p-tolyl)ethyl]isoxazol-5-amine 4-methyl-3-[2-(p-tolyl)ethyl]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) 3.08 4.97 -7.81 2 3 0 52 216.284 3 ↓
Mid Mid (pH 6-8) 3.08 4.93 -29.48 3 3 1 53 217.292 3 ↓

Analogs

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Popular Name: 4-ethyl-3-[2-(p-tolyl)ethyl]isoxazol-5-amine 4-ethyl-3-[2-(p-tolyl)ethyl]isox…

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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) 3.54 5.6 -7.43 2 3 0 52 230.311 4 ↓
Mid Mid (pH 6-8) 3.54 5.51 -29.35 3 3 1 53 231.319 4 ↓

Analogs

43375947
43375947

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Popular Name: 4-isobutyl-3-[2-(p-tolyl)ethyl]isoxazol-5-amine 4-isobutyl-3-[2-(p-tolyl)ethyl]i…

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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) 3.93 7.01 -7.11 2 3 0 52 258.365 5 ↓
Mid Mid (pH 6-8) 3.93 6.68 -29.9 3 3 1 53 259.373 5 ↓

Analogs

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Popular Name: 5-(bromomethyl)-3-[(2S)-2-phenylpropyl]isoxazole 5-(bromomethyl)-3-[(2S)-2-phenyl…

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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) 4.39 8.52 -7.27 0 2 0 26 280.165 4 ↓

Analogs

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Popular Name: 5-(bromomethyl)-3-[(2R)-2-phenylpropyl]isoxazole 5-(bromomethyl)-3-[(2R)-2-phenyl…

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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) 4.39 8.82 -6.28 0 2 0 26 280.165 4 ↓

Analogs

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Popular Name: 5-(bromomethyl)-3-phenethyl-isoxazole 5-(bromomethyl)-3-phenethyl-isox…

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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) 3.59 8.17 -7 0 2 0 26 266.138 4 ↓

Analogs

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Popular Name: [3-[(2S)-2-phenylpropyl]isoxazol-5-yl]methanamine [3-[(2S)-2-phenylpropyl]isoxazol…

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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) 2.87 5.18 -52.1 3 3 1 54 217.292 4 ↓
Hi High (pH 8-9.5) 2.87 4.78 -7.96 2 3 0 52 216.284 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(2R)-2-phenylpropyl]isoxazol-5-yl]methanamine [3-[(2R)-2-phenylpropyl]isoxazol…

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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) 2.87 5.48 -50.5 3 3 1 54 217.292 4 ↓
Hi High (pH 8-9.5) 2.87 5.08 -6.88 2 3 0 52 216.284 4 ↓

Analogs

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Popular Name: (3-phenethylisoxazol-5-yl)methanamine (3-phenethylisoxazol-5-yl)methan…

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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) 2.07 4.84 -51.47 3 3 1 54 203.265 4 ↓
Hi High (pH 8-9.5) 2.07 4.44 -6.44 2 3 0 52 202.257 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-[(2S)-2-phenylpropyl]isoxazol-5-yl]methanol [3-[(2S)-2-phenylpropyl]isoxazol…

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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) 3.02 4.45 -9.6 1 3 0 46 217.268 4 ↓

Analogs

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Popular Name: [3-[(2R)-2-phenylpropyl]isoxazol-5-yl]methanol [3-[(2R)-2-phenylpropyl]isoxazol…

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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) 3.02 4.75 -8.58 1 3 0 46 217.268 4 ↓

Analogs

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Popular Name: 3-[2-(o-tolyl)ethyl]isoxazol-5-amine 3-[2-(o-tolyl)ethyl]isoxazol-5-a…

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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) 2.65 4.12 -7.4 2 3 0 52 202.257 3 ↓
Lo Low (pH 4.5-6) 2.65 4.05 -31.54 3 3 1 53 203.265 3 ↓

Analogs

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Popular Name: 3-[2-(m-tolyl)ethyl]isoxazol-5-amine 3-[2-(m-tolyl)ethyl]isoxazol-5-a…

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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) 2.68 4.31 -7.37 2 3 0 52 202.257 3 ↓
Lo Low (pH 4.5-6) 2.68 4.24 -30.86 3 3 1 53 203.265 3 ↓

Analogs

34939706
34939706

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Popular Name: 3-[2-(p-tolyl)ethyl]isoxazol-5-amine 3-[2-(p-tolyl)ethyl]isoxazol-5-a…

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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) 2.70 4.32 -7.33 2 3 0 52 202.257 3 ↓
Lo Low (pH 4.5-6) 2.70 4.25 -30.74 3 3 1 53 203.265 3 ↓

Parameters Provided:

ring.id = 37857
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 = 37857 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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