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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-(4,5-dimethyloxazol-2-yl)-N-[(3-nitrophenyl)methyl]methanamine 1-(4,5-dimethyloxazol-2-yl)-N-[(…

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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 5.07 -56.91 2 6 1 88 262.289 5 ↓
Mid Mid (pH 6-8) 1.80 3.71 -12.21 1 6 0 84 261.281 5 ↓

Analogs

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Popular Name: 2-[[benzyl(ethyl)amino]methyl]oxazole-4-carboxylic 2-[[benzyl(ethyl)amino]methyl]ox…

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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) 1.86 6.06 -65.4 1 5 0 71 260.293 6 ↓
Hi High (pH 8-9.5) 1.86 3.52 -52.37 0 5 -1 69 259.285 6 ↓

Analogs

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Popular Name: (1S)-N-[(4,5-dimethyloxazol-2-yl)methyl]-N-methyl-1-(4-methylsulfonylphenyl)ethanamine (1S)-N-[(4,5-dimethyloxazol-2-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) 1.54 2.36 -15.2 0 5 0 63 322.43 5 ↓
Mid Mid (pH 6-8) 1.54 4.36 -49.05 1 5 1 65 323.438 5 ↓

Analogs

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Popular Name: (1R)-N-[(4,5-dimethyloxazol-2-yl)methyl]-N-methyl-1-(4-methylsulfonylphenyl)ethanamine (1R)-N-[(4,5-dimethyloxazol-2-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) 1.54 2.56 -15.17 0 5 0 63 322.43 5 ↓
Mid Mid (pH 6-8) 1.54 4.62 -47.74 1 5 1 65 323.438 5 ↓

Analogs

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Popular Name: (2R)-2-[(4,5-dimethyloxazol-2-yl)methylamino]-2-phenyl-ethanol (2R)-2-[(4,5-dimethyloxazol-2-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) 1.42 1.9 -40.27 3 4 1 63 247.318 5 ↓
Hi High (pH 8-9.5) 1.42 0.79 -8.98 2 4 0 58 246.31 5 ↓

Analogs

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Popular Name: (2S)-2-[(4,5-dimethyloxazol-2-yl)methylamino]-2-phenyl-ethanol (2S)-2-[(4,5-dimethyloxazol-2-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) 1.42 1.88 -39.92 3 4 1 63 247.318 5 ↓
Hi High (pH 8-9.5) 1.42 0.67 -8.78 2 4 0 58 246.31 5 ↓

Analogs

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Popular Name: N-[(5-tert-butyloxazol-2-yl)methyl]-2-(4-fluorophenyl)propan-2-amine N-[(5-tert-butyloxazol-2-yl)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) 4.54 6.77 -41.16 2 3 1 43 291.39 5 ↓
Hi High (pH 8-9.5) 4.54 5.75 -6.02 1 3 0 38 290.382 5 ↓

Analogs

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Popular Name: N-[[4-(difluoromethoxy)phenyl]methyl]-1-(5-isopropyloxazol-2-yl)-N-methyl-methanamine N-[[4-(difluoromethoxy)phenyl]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) 3.56 6.59 -42.99 1 4 1 40 311.352 7 ↓
Mid Mid (pH 6-8) 3.56 4.31 -9.41 0 4 0 39 310.344 7 ↓

Analogs

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Popular Name: 3-[[(4,5-dimethyloxazol-2-yl)methyl-methyl-amino]methyl]benzamide 3-[[(4,5-dimethyloxazol-2-yl)met…

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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) 0.91 3.2 -44.56 3 5 1 74 274.344 5 ↓
Hi High (pH 8-9.5) 0.91 0.82 -14.31 2 5 0 72 273.336 5 ↓

Analogs

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Popular Name: [1-(4-chlorophenyl)ethyl][(dimethyl-1,3-oxazol-2-yl)methyl]amine [1-(4-chlorophenyl)ethyl][(dimet…

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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) 3.10 5.51 -44.15 2 3 1 43 265.764 4 ↓
Hi High (pH 8-9.5) 3.10 4.39 -6.96 1 3 0 38 264.756 4 ↓

Analogs

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Popular Name: [1-(4-chlorophenyl)ethyl][(dimethyl-1,3-oxazol-2-yl)methyl]amine [1-(4-chlorophenyl)ethyl][(dimet…

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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) 3.10 5.49 -44.22 2 3 1 43 265.764 4 ↓
Hi High (pH 8-9.5) 3.10 4.38 -6.52 1 3 0 38 264.756 4 ↓

Analogs

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Popular Name: (1S)-1-(4-bromophenyl)-N-[(4,5-dimethyloxazol-2-yl)methyl]ethanamine (1S)-1-(4-bromophenyl)-N-[(4,5-d…

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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) 3.23 5.62 -44.33 2 3 1 43 310.215 4 ↓
Hi High (pH 8-9.5) 3.23 4.5 -6.95 1 3 0 38 309.207 4 ↓

Analogs

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Popular Name: (1R)-1-(4-bromophenyl)-N-[(4,5-dimethyloxazol-2-yl)methyl]ethanamine (1R)-1-(4-bromophenyl)-N-[(4,5-d…

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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) 3.23 5.6 -44.41 2 3 1 43 310.215 4 ↓
Hi High (pH 8-9.5) 3.23 4.48 -6.46 1 3 0 38 309.207 4 ↓

Analogs

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Popular Name: (1R)-N-[(4,5-dimethyloxazol-2-yl)methyl]-1-(o-tolyl)ethanamine (1R)-N-[(4,5-dimethyloxazol-2-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) 2.83 5.51 -39.88 2 3 1 43 245.346 4 ↓
Hi High (pH 8-9.5) 2.83 4.48 -7.55 1 3 0 38 244.338 4 ↓

Analogs

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Popular Name: (1S)-N-[(4,5-dimethyloxazol-2-yl)methyl]-1-(o-tolyl)ethanamine (1S)-N-[(4,5-dimethyloxazol-2-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) 2.83 5.53 -40.04 2 3 1 43 245.346 4 ↓
Hi High (pH 8-9.5) 2.83 4.39 -7.02 1 3 0 38 244.338 4 ↓

Analogs

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Popular Name: (1S)-N-[(4,5-dimethyloxazol-2-yl)methyl]-1-(2-fluorophenyl)ethanamine (1S)-N-[(4,5-dimethyloxazol-2-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) 2.54 5.13 -39.62 2 3 1 43 249.309 4 ↓
Hi High (pH 8-9.5) 2.54 4.14 -6.71 1 3 0 38 248.301 4 ↓

Analogs

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Popular Name: (1R)-N-[(4,5-dimethyloxazol-2-yl)methyl]-1-(2-fluorophenyl)ethanamine (1R)-N-[(4,5-dimethyloxazol-2-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) 2.54 5.09 -39.74 2 3 1 43 249.309 4 ↓
Hi High (pH 8-9.5) 2.54 3.97 -6.76 1 3 0 38 248.301 4 ↓

Analogs

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Popular Name: (1S)-N-[(4,5-dimethyloxazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine (1S)-N-[(4,5-dimethyloxazol-2-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) 2.57 5.06 -43.9 2 3 1 43 249.309 4 ↓
Hi High (pH 8-9.5) 2.57 3.94 -7.18 1 3 0 38 248.301 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(4,5-dimethyloxazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine (1R)-N-[(4,5-dimethyloxazol-2-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) 2.57 5.04 -44.13 2 3 1 43 249.309 4 ↓
Hi High (pH 8-9.5) 2.57 3.92 -6.76 1 3 0 38 248.301 4 ↓

Analogs

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Popular Name: 4-[[(4,5-dimethyloxazol-2-yl)methyl-methyl-amino]methyl]benzoic 4-[[(4,5-dimethyloxazol-2-yl)met…

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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 6.99 -77.77 1 5 0 71 274.32 5 ↓

Analogs

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Popular Name: (1R)-N-[(4,5-dimethyloxazol-2-yl)methyl]-1-(p-tolyl)ethanamine (1R)-N-[(4,5-dimethyloxazol-2-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) 2.87 5.65 -39.82 2 3 1 43 245.346 4 ↓

Analogs

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Popular Name: (1S)-N-[(4,5-dimethyloxazol-2-yl)methyl]-1-(p-tolyl)ethanamine (1S)-N-[(4,5-dimethyloxazol-2-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) 2.87 5.66 -39.7 2 3 1 43 245.346 4 ↓

Parameters Provided:

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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 = 30760 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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