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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 5-[[cyclobutylmethyl(methyl)amino]methyl]isoxazole-3-carboxylic 5-[[cyclobutylmethyl(methyl)amin…

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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) 1.32 6.8 -65.68 1 5 0 71 224.26 5 ↓

Analogs

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Popular Name: 1-[5-[[cyclobutylmethyl(methyl)amino]methyl]isoxazol-3-yl]-N-methyl-methanamine 1-[5-[[cyclobutylmethyl(methyl)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) 1.31 6.12 -97.79 3 4 2 47 225.336 6 ↓
Hi High (pH 8-9.5) 1.31 4.67 -41.26 2 4 1 42 224.328 6 ↓

Analogs

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Popular Name: N-[[5-[[cyclobutylmethyl(methyl)amino]methyl]isoxazol-3-yl]methyl]ethanamine N-[[5-[[cyclobutylmethyl(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) 1.68 6.98 -97.74 3 4 2 47 239.363 7 ↓
Hi High (pH 8-9.5) 1.68 5.6 -41.09 2 4 1 42 238.355 7 ↓

Analogs

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Popular Name: N-[[5-[[cyclobutylmethyl(methyl)amino]methyl]isoxazol-3-yl]methyl]propan-1-amine N-[[5-[[cyclobutylmethyl(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) 2.19 7.73 -99.2 3 4 2 47 253.39 8 ↓

Analogs

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Popular Name: N-[[5-[[cyclobutylmethyl(methyl)amino]methyl]isoxazol-3-yl]methyl]propan-2-amine N-[[5-[[cyclobutylmethyl(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) 1.98 7.5 -96.21 3 4 2 47 253.39 7 ↓
Hi High (pH 8-9.5) 1.98 6.31 -40.94 2 4 1 42 252.382 7 ↓

Analogs

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Popular Name: N-[[5-[[cyclobutylmethyl(methyl)amino]methyl]isoxazol-3-yl]methyl]-2-methyl-propan-2-amine N-[[5-[[cyclobutylmethyl(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) 2.49 7.93 -95.37 3 4 2 47 267.417 7 ↓
Hi High (pH 8-9.5) 2.49 6.69 -40.8 2 4 1 42 266.409 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[cyclobutylmethyl(methyl)amino]methyl]isoxazol-3-yl]methyl]-2-methyl-propan-1-amine N-[[5-[[cyclobutylmethyl(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) 2.43 8.43 -99.96 3 4 2 47 267.417 8 ↓

Analogs

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Popular Name: 1-[3-(aminomethyl)isoxazol-5-yl]-N-(cyclobutylmethyl)-N-methyl-methanamine 1-[3-(aminomethyl)isoxazol-5-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) 0.93 4.25 -102.82 4 4 2 58 211.309 5 ↓
Hi High (pH 8-9.5) 0.93 3.85 -43.4 3 4 1 56 210.301 5 ↓

Parameters Provided:

ring.id = 219249
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 = 219249 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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