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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: N-methyl-N-[[3-(methylaminomethyl)isoxazol-5-yl]methyl]-1-(5-methyl-2-furyl)methanamine N-methyl-N-[[3-(methylaminomethy…

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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) 1.14 3.78 -45.62 2 5 1 59 250.322 6 ↓
Hi High (pH 8-9.5) 1.14 2.33 -9.68 1 5 0 54 249.314 6 ↓
Mid Mid (pH 6-8) 1.14 6.13 -100.59 3 5 2 60 251.33 6 ↓

Analogs

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Popular Name: N-[[5-[[methyl-[(5-methyl-2-furyl)methyl]amino]methyl]isoxazol-3-yl]methyl]ethanamine N-[[5-[[methyl-[(5-methyl-2-fury…

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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) 1.52 4.63 -44.63 2 5 1 59 264.349 7 ↓
Hi High (pH 8-9.5) 1.52 3.26 -8.26 1 5 0 54 263.341 7 ↓
Mid Mid (pH 6-8) 1.52 6.98 -100.47 3 5 2 60 265.357 7 ↓

Analogs

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Popular Name: N-[[5-[[methyl-[(5-methyl-2-furyl)methyl]amino]methyl]isoxazol-3-yl]methyl]propan-1-amine N-[[5-[[methyl-[(5-methyl-2-fury…

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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) 2.02 5.39 -45.52 2 5 1 59 278.376 8 ↓
Mid Mid (pH 6-8) 2.02 7.73 -101.91 3 5 2 60 279.384 8 ↓

Analogs

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Popular Name: N-[[5-[[methyl-[(5-methyl-2-furyl)methyl]amino]methyl]isoxazol-3-yl]methyl]propan-2-amine N-[[5-[[methyl-[(5-methyl-2-fury…

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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) 1.81 5.15 -42.54 2 5 1 59 278.376 7 ↓
Hi High (pH 8-9.5) 1.81 3.97 -9.3 1 5 0 54 277.368 7 ↓
Mid Mid (pH 6-8) 1.81 7.5 -99.87 3 5 2 60 279.384 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[5-[[methyl-[(5-methyl-2-furyl)methyl]amino]methyl]isoxazol-3-yl]methyl]propan-2-amine 2-methyl-N-[[5-[[methyl-[(5-meth…

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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) 2.33 5.58 -40.95 2 5 1 59 292.403 7 ↓
Hi High (pH 8-9.5) 2.33 4.35 -9.22 1 5 0 54 291.395 7 ↓
Mid Mid (pH 6-8) 2.33 7.93 -98.06 3 5 2 60 293.411 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[5-[[methyl-[(5-methyl-2-furyl)methyl]amino]methyl]isoxazol-3-yl]methyl]propan-1-amine 2-methyl-N-[[5-[[methyl-[(5-meth…

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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) 2.26 6.09 -45.41 2 5 1 59 292.403 8 ↓
Mid Mid (pH 6-8) 2.26 8.43 -102.65 3 5 2 60 293.411 8 ↓

Analogs

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Popular Name: N-[[3-(aminomethyl)isoxazol-5-yl]methyl]-N-methyl-1-(5-methyl-2-furyl)methanamine N-[[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) 0.76 1.91 -51.26 3 5 1 70 236.295 5 ↓
Hi High (pH 8-9.5) 0.76 1.51 -10.29 2 5 0 68 235.287 5 ↓
Mid Mid (pH 6-8) 0.76 4.26 -105.51 4 5 2 71 237.303 5 ↓

Analogs

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Popular Name: 1-[5-[[2-furylmethyl(methyl)amino]methyl]isoxazol-3-yl]-N-methyl-methanamine 1-[5-[[2-furylmethyl(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) 0.92 2.96 -45.38 2 5 1 59 236.295 6 ↓
Hi High (pH 8-9.5) 0.92 1.5 -8.28 1 5 0 54 235.287 6 ↓
Mid Mid (pH 6-8) 0.92 5.3 -100.38 3 5 2 60 237.303 6 ↓

Analogs

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Popular Name: N-[[5-[[2-furylmethyl(methyl)amino]methyl]isoxazol-3-yl]methyl]ethanamine N-[[5-[[2-furylmethyl(methyl)ami…

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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) 1.29 3.81 -44.45 2 5 1 59 250.322 7 ↓
Hi High (pH 8-9.5) 1.29 2.43 -8.07 1 5 0 54 249.314 7 ↓
Mid Mid (pH 6-8) 1.29 6.16 -100.33 3 5 2 60 251.33 7 ↓

Analogs

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Popular Name: N-[[5-[[2-furylmethyl(methyl)amino]methyl]isoxazol-3-yl]methyl]propan-1-amine N-[[5-[[2-furylmethyl(methyl)ami…

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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) 1.80 4.56 -45.3 2 5 1 59 264.349 8 ↓
Mid Mid (pH 6-8) 1.80 6.92 -101.77 3 5 2 60 265.357 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[2-furylmethyl(methyl)amino]methyl]isoxazol-3-yl]methyl]propan-2-amine N-[[5-[[2-furylmethyl(methyl)ami…

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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) 1.59 4.34 -42.38 2 5 1 59 264.349 7 ↓
Hi High (pH 8-9.5) 1.59 3.12 -7.78 1 5 0 54 263.341 7 ↓
Mid Mid (pH 6-8) 1.59 6.69 -99.73 3 5 2 60 265.357 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[2-furylmethyl(methyl)amino]methyl]isoxazol-3-yl]methyl]-2-methyl-propan-2-amine N-[[5-[[2-furylmethyl(methyl)ami…

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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) 2.10 4.77 -40.74 2 5 1 59 278.376 7 ↓
Hi High (pH 8-9.5) 2.10 3.53 -7.76 1 5 0 54 277.368 7 ↓
Mid Mid (pH 6-8) 2.10 7.11 -97.9 3 5 2 60 279.384 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[2-furylmethyl(methyl)amino]methyl]isoxazol-3-yl]methyl]-2-methyl-propan-1-amine N-[[5-[[2-furylmethyl(methyl)ami…

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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) 2.04 5.26 -45.16 2 5 1 59 278.376 8 ↓
Mid Mid (pH 6-8) 2.04 7.6 -102.15 3 5 2 60 279.384 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(aminomethyl)isoxazol-5-yl]methyl]-1-(2-furyl)-N-methyl-methanamine N-[[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) 0.54 1.09 -51.08 3 5 1 70 222.268 5 ↓
Hi High (pH 8-9.5) 0.54 0.68 -8.68 2 5 0 68 221.26 5 ↓
Mid Mid (pH 6-8) 0.54 3.43 -105.34 4 5 2 71 223.276 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-N-[[3-(methylaminomethyl)isoxazol-5-yl]methyl]ethanamine N-(2-furylmethyl)-N-[[3-(methyla…

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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) 1.29 3.92 -43.46 2 5 1 59 250.322 7 ↓
Hi High (pH 8-9.5) 1.29 2.47 -7.8 1 5 0 54 249.314 7 ↓
Mid Mid (pH 6-8) 1.29 6.06 -96.53 3 5 2 60 251.33 7 ↓

Analogs

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Popular Name: N-[[5-[[ethyl(2-furylmethyl)amino]methyl]isoxazol-3-yl]methyl]ethanamine N-[[5-[[ethyl(2-furylmethyl)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) 1.67 4.35 -44.59 2 5 1 59 264.349 8 ↓
Hi High (pH 8-9.5) 1.67 2.97 -7.86 1 5 0 54 263.341 8 ↓
Mid Mid (pH 6-8) 1.67 6.92 -96.48 3 5 2 60 265.357 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[ethyl(2-furylmethyl)amino]methyl]isoxazol-3-yl]methyl]propan-1-amine N-[[5-[[ethyl(2-furylmethyl)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) 2.17 5.12 -45.44 2 5 1 59 278.376 9 ↓
Mid Mid (pH 6-8) 2.17 7.67 -97.91 3 5 2 60 279.384 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[ethyl(2-furylmethyl)amino]methyl]isoxazol-3-yl]methyl]propan-2-amine N-[[5-[[ethyl(2-furylmethyl)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) 1.97 5.3 -41.12 2 5 1 59 278.376 8 ↓
Hi High (pH 8-9.5) 1.97 4.09 -7.6 1 5 0 54 277.368 8 ↓
Mid Mid (pH 6-8) 1.97 7.44 -95.01 3 5 2 60 279.384 8 ↓

Analogs

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Popular Name: N-[[5-[[ethyl(2-furylmethyl)amino]methyl]isoxazol-3-yl]methyl]-2-methyl-propan-2-amine N-[[5-[[ethyl(2-furylmethyl)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) 2.48 5.71 -38.87 2 5 1 59 292.403 8 ↓
Hi High (pH 8-9.5) 2.48 4.49 -7.38 1 5 0 54 291.395 8 ↓
Mid Mid (pH 6-8) 2.48 7.86 -94.05 3 5 2 60 293.411 8 ↓

Analogs

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Popular Name: N-[[5-[[ethyl(2-furylmethyl)amino]methyl]isoxazol-3-yl]methyl]-2-methyl-propan-1-amine N-[[5-[[ethyl(2-furylmethyl)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) 2.42 6.23 -43.23 2 5 1 59 292.403 9 ↓
Mid Mid (pH 6-8) 2.42 8.37 -98.34 3 5 2 60 293.411 9 ↓

Analogs

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Popular Name: N-[[3-(aminomethyl)isoxazol-5-yl]methyl]-N-(2-furylmethyl)ethanamine N-[[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) 0.92 2.05 -49.07 3 5 1 70 236.295 6 ↓
Hi High (pH 8-9.5) 0.92 1.65 -7.12 2 5 0 68 235.287 6 ↓
Mid Mid (pH 6-8) 0.92 4.19 -101.54 4 5 2 71 237.303 6 ↓

Analogs

42416998
42416998

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Popular Name: 5-[[ethyl(2-furylmethyl)amino]methyl]isoxazole-3-carboxylic 5-[[ethyl(2-furylmethyl)amino]me…

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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 4.6 -49.01 0 6 -1 83 249.246 6 ↓
Mid Mid (pH 6-8) 1.31 6.74 -63.16 1 6 0 84 250.254 6 ↓

Parameters Provided:

ring.id = 56283
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 56283 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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