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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-(2-methyl-3-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) 0.83 3.54 -44.89 2 5 1 59 250.322 6 ↓
Hi High (pH 8-9.5) 0.83 2.09 -8.93 1 5 0 54 249.314 6 ↓
Mid Mid (pH 6-8) 0.83 5.88 -101.07 3 5 2 60 251.33 6 ↓

Analogs

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Popular Name: N-[[5-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]isoxazol-3-yl]methyl]ethanamine N-[[5-[[methyl-[(2-methyl-3-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) 1.21 4.36 -43.91 2 5 1 59 264.349 7 ↓
Hi High (pH 8-9.5) 1.21 2.98 -7.5 1 5 0 54 263.341 7 ↓
Mid Mid (pH 6-8) 1.21 6.73 -101.13 3 5 2 60 265.357 7 ↓

Analogs

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Popular Name: N-[[5-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]isoxazol-3-yl]methyl]propan-1-amine N-[[5-[[methyl-[(2-methyl-3-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) 1.71 5.11 -44.75 2 5 1 59 278.376 8 ↓
Mid Mid (pH 6-8) 1.71 7.48 -102.57 3 5 2 60 279.384 8 ↓

Analogs

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Popular Name: N-[[5-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]isoxazol-3-yl]methyl]propan-2-amine N-[[5-[[methyl-[(2-methyl-3-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) 1.50 4.91 -42.54 2 5 1 59 278.376 7 ↓
Hi High (pH 8-9.5) 1.50 3.73 -8.49 1 5 0 54 277.368 7 ↓
Mid Mid (pH 6-8) 1.50 7.27 -100.4 3 5 2 60 279.384 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[5-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]isoxazol-3-yl]methyl]propan-2-amine 2-methyl-N-[[5-[[methyl-[(2-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) 2.01 5.35 -40.23 2 5 1 59 292.403 7 ↓
Hi High (pH 8-9.5) 2.01 4.11 -8.45 1 5 0 54 291.395 7 ↓
Mid Mid (pH 6-8) 2.01 7.69 -98.57 3 5 2 60 293.411 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[5-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]isoxazol-3-yl]methyl]propan-1-amine 2-methyl-N-[[5-[[methyl-[(2-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) 1.95 5.85 -44.95 2 5 1 59 292.403 8 ↓
Mid Mid (pH 6-8) 1.95 8.19 -102.86 3 5 2 60 293.411 8 ↓

Analogs

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Popular Name: N-[[3-(aminomethyl)isoxazol-5-yl]methyl]-N-methyl-1-(2-methyl-3-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) 0.45 1.67 -50.44 3 5 1 70 236.295 5 ↓
Hi High (pH 8-9.5) 0.45 1.27 -9.5 2 5 0 68 235.287 5 ↓
Mid Mid (pH 6-8) 0.45 4.01 -106.03 4 5 2 71 237.303 5 ↓

Analogs

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Popular Name: 1-[5-[[3-furylmethyl(methyl)amino]methyl]isoxazol-3-yl]-N-methyl-methanamine 1-[5-[[3-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) 0.61 5.14 -99.56 3 5 2 60 237.303 6 ↓
Hi High (pH 8-9.5) 0.61 1.35 -7.45 1 5 0 54 235.287 6 ↓
Mid Mid (pH 6-8) 0.61 2.81 -43.85 2 5 1 59 236.295 6 ↓

Analogs

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Popular Name: N-[[5-[[3-furylmethyl(methyl)amino]methyl]isoxazol-3-yl]methyl]ethanamine N-[[5-[[3-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) 0.98 5.99 -99.41 3 5 2 60 251.33 7 ↓
Hi High (pH 8-9.5) 0.98 2.29 -7.26 1 5 0 54 249.314 7 ↓
Mid Mid (pH 6-8) 0.98 3.67 -42.98 2 5 1 59 250.322 7 ↓

Analogs

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Popular Name: N-[[5-[[3-furylmethyl(methyl)amino]methyl]isoxazol-3-yl]methyl]propan-1-amine N-[[5-[[3-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) 1.49 6.75 -100.88 3 5 2 60 265.357 8 ↓
Mid Mid (pH 6-8) 1.49 4.42 -43.74 2 5 1 59 264.349 8 ↓

Analogs

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Popular Name: N-[[5-[[3-furylmethyl(methyl)amino]methyl]isoxazol-3-yl]methyl]propan-2-amine N-[[5-[[3-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) 1.28 6.52 -97.89 3 5 2 60 265.357 7 ↓
Hi High (pH 8-9.5) 1.28 2.97 -7 1 5 0 54 263.341 7 ↓
Mid Mid (pH 6-8) 1.28 4.19 -41.51 2 5 1 59 264.349 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[3-furylmethyl(methyl)amino]methyl]isoxazol-3-yl]methyl]-2-methyl-propan-2-amine N-[[5-[[3-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) 1.79 6.94 -97.08 3 5 2 60 279.384 7 ↓
Hi High (pH 8-9.5) 1.79 3.38 -6.95 1 5 0 54 277.368 7 ↓
Mid Mid (pH 6-8) 1.79 4.62 -39.24 2 5 1 59 278.376 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[3-furylmethyl(methyl)amino]methyl]isoxazol-3-yl]methyl]-2-methyl-propan-1-amine N-[[5-[[3-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) 1.73 7.44 -101.6 3 5 2 60 279.384 8 ↓
Mid Mid (pH 6-8) 1.73 5.11 -43.56 2 5 1 59 278.376 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(aminomethyl)isoxazol-5-yl]methyl]-1-(3-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) 0.23 3.26 -104.49 4 5 2 71 223.276 5 ↓
Hi High (pH 8-9.5) 0.23 0.51 -9.13 2 5 0 68 221.26 5 ↓
Mid Mid (pH 6-8) 0.23 0.92 -49.46 3 5 1 70 222.268 5 ↓

Analogs

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

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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 5.82 -68.69 1 6 0 84 236.227 5 ↓
Mid Mid (pH 6-8) 0.62 3.47 -49.09 0 6 -1 83 235.219 5 ↓

Analogs

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Popular Name: 5-[[methyl-[(2-methyl-3-furyl)methyl]amino]methyl]isoxazole-3-carboxylic 5-[[methyl-[(2-methyl-3-furyl)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) 0.84 6.58 -67.97 1 6 0 84 250.254 5 ↓
Mid Mid (pH 6-8) 0.84 4.24 -48.74 0 6 -1 83 249.246 5 ↓

Parameters Provided:

ring.id = 222871
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 = 222871 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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