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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: 1-[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]isoxazol-3-yl]-N-methyl-methanamine 1-[5-[(3,5-dimethyl-1,2,4-triazo…

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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) -0.25 4.27 -47.43 2 6 1 73 222.272 4 ↓
Hi High (pH 8-9.5) -0.25 2.81 -11.2 1 6 0 69 221.264 4 ↓

Analogs

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Popular Name: N-[[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]isoxazol-3-yl]methyl]ethanamine N-[[5-[(3,5-dimethyl-1,2,4-triaz…

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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) 0.13 5.13 -54.89 2 6 1 73 236.299 5 ↓
Hi High (pH 8-9.5) 0.13 3.75 -14.33 1 6 0 69 235.291 5 ↓

Analogs

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Popular Name: N-[[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]isoxazol-3-yl]methyl]propan-1-amine N-[[5-[(3,5-dimethyl-1,2,4-triaz…

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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) 0.63 5.88 -55.86 2 6 1 73 250.326 6 ↓

Analogs

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Popular Name: N-[[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]isoxazol-3-yl]methyl]propan-2-amine N-[[5-[(3,5-dimethyl-1,2,4-triaz…

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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) 0.42 5.65 -44.98 2 6 1 73 250.326 5 ↓
Hi High (pH 8-9.5) 0.42 4.43 -11 1 6 0 69 249.318 5 ↓

Analogs

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Popular Name: N-[[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]isoxazol-3-yl]methyl]-2-methyl-propan-2-amine N-[[5-[(3,5-dimethyl-1,2,4-triaz…

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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) 0.94 6.06 -42.72 2 6 1 73 264.353 5 ↓
Hi High (pH 8-9.5) 0.94 4.83 -10.71 1 6 0 69 263.345 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]isoxazol-3-yl]methyl]-2-methyl-propan-1-amine N-[[5-[(3,5-dimethyl-1,2,4-triaz…

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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) 0.87 6.57 -47.38 2 6 1 73 264.353 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]isoxazol-3-yl]methanamine [5-[(3,5-dimethyl-1,2,4-triazol-…

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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) -0.62 2.39 -53 3 6 1 84 208.245 3 ↓
Hi High (pH 8-9.5) -0.62 1.99 -10.66 2 6 0 83 207.237 3 ↓

Analogs

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Popular Name: N-methyl-1-[5-(1,2,4-triazol-1-ylmethyl)isoxazol-3-yl]methanamine N-methyl-1-[5-(1,2,4-triazol-1-y…

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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) -0.42 4.59 -47.82 2 6 1 73 194.218 4 ↓
Hi High (pH 8-9.5) -0.42 3.14 -11.48 1 6 0 69 193.21 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(1,2,4-triazol-1-ylmethyl)isoxazol-3-yl]methyl]ethanamine N-[[5-(1,2,4-triazol-1-ylmethyl)…

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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) -0.05 5.45 -46.83 2 6 1 73 208.245 5 ↓
Hi High (pH 8-9.5) -0.05 4.07 -11.23 1 6 0 69 207.237 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(1,2,4-triazol-1-ylmethyl)isoxazol-3-yl]methyl]propan-1-amine N-[[5-(1,2,4-triazol-1-ylmethyl)…

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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) 0.45 6.21 -47.71 2 6 1 73 222.272 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(1,2,4-triazol-1-ylmethyl)isoxazol-3-yl]methyl]propan-2-amine N-[[5-(1,2,4-triazol-1-ylmethyl)…

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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) 0.25 5.98 -44.86 2 6 1 73 222.272 5 ↓
Hi High (pH 8-9.5) 0.25 4.76 -11.04 1 6 0 69 221.264 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[5-(1,2,4-triazol-1-ylmethyl)isoxazol-3-yl]methyl]propan-2-amine 2-methyl-N-[[5-(1,2,4-triazol-1-…

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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) 0.76 6.4 -43.16 2 6 1 73 236.299 5 ↓
Hi High (pH 8-9.5) 0.76 5.16 -10.93 1 6 0 69 235.291 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[5-(1,2,4-triazol-1-ylmethyl)isoxazol-3-yl]methyl]propan-1-amine 2-methyl-N-[[5-(1,2,4-triazol-1-…

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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) 0.70 6.9 -47.5 2 6 1 73 236.299 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(1,2,4-triazol-1-ylmethyl)isoxazol-3-yl]methanamine [5-(1,2,4-triazol-1-ylmethyl)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) -0.80 2.72 -53.42 3 6 1 84 180.191 3 ↓
Hi High (pH 8-9.5) -0.80 2.32 -13.07 2 6 0 83 179.183 3 ↓

Parameters Provided:

ring.id = 260133
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 = 260133 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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