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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: 3-[[2-(3,5-dimethylisoxazol-4-yl)acetyl]amino]-N,N-dimethyl-benzamide 3-[[2-(3,5-dimethylisoxazol-4-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) 0.72 5.37 -23.4 1 6 0 75 301.346 4 ↓

Analogs

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Popular Name: 2-(5-chloro-3-methyl-isoxazol-4-yl)-N-(2,3,4-trimethoxyphenyl)acetamide 2-(5-chloro-3-methyl-isoxazol-4-…

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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 4.65 -14.22 1 7 0 83 340.763 6 ↓

Analogs

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Popular Name: 2-(5-chloro-3-methyl-isoxazol-4-yl)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide 2-(5-chloro-3-methyl-isoxazol-4-…

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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) 3.35 6.61 -16.4 1 4 0 55 332.759 5 ↓

Analogs

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Popular Name: 2-(3,5-dimethylisoxazol-4-yl)-N-(3-ethynylphenyl)acetamide 2-(3,5-dimethylisoxazol-4-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) 1.51 6.66 -19.11 1 4 0 55 254.289 3 ↓

Analogs

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Popular Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(3,5-dimethylisoxazol-4-yl)acetamide N-(4-chloro-2-methoxy-5-methyl-p…

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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) 2.82 6.01 -13.86 1 5 0 64 308.765 4 ↓

Analogs

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Popular Name: methyl 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) 3.57 8.33 -12.55 1 6 0 81 330.384 6 ↓

Analogs

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Popular Name: 3-bromo-2-[[2-(3,5-dimethylisoxazol-4-yl)acetyl]amino]benzoic 3-bromo-2-[[2-(3,5-dimethylisoxa…

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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) 2.58 7.1 -46.36 1 6 -1 95 352.164 4 ↓

Analogs

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Popular Name: N-[3-(2-aminoethoxy)phenyl]-2-(3,5-dimethylisoxazol-4-yl)acetamide N-[3-(2-aminoethoxy)phenyl]-2-(3…

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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 3.17 -53.82 4 6 1 92 290.343 6 ↓
Hi High (pH 8-9.5) 0.61 2.73 -20.04 3 6 0 90 289.335 6 ↓

Analogs

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Popular Name: 4-[[2-(3,5-dimethylisoxazol-4-yl)acetyl]amino]-3-fluoro-benzoic 4-[[2-(3,5-dimethylisoxazol-4-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) 1.78 6.14 -55.34 1 6 -1 95 291.258 4 ↓

Analogs

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Popular Name: (2S)-N-[4-(difluoromethoxy)phenyl]-2-(3,5-dimethylisoxazol-4-yl)butanamide (2S)-N-[4-(difluoromethoxy)pheny…

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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) 3.06 6.07 -17.58 1 5 0 64 324.327 6 ↓

Analogs

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Popular Name: (2R)-N-[4-(difluoromethoxy)phenyl]-2-(3,5-dimethylisoxazol-4-yl)butanamide (2R)-N-[4-(difluoromethoxy)pheny…

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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) 3.06 6.13 -15.71 1 5 0 64 324.327 6 ↓

Analogs

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Popular Name: (2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(3,5-dimethylisoxazol-4-yl)butanamide (2S)-N-[4-(difluoromethylsulfany…

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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) 3.44 7.79 -16.51 1 4 0 55 340.395 6 ↓

Analogs

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Popular Name: (2R)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(3,5-dimethylisoxazol-4-yl)butanamide (2R)-N-[4-(difluoromethylsulfany…

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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) 3.44 7.85 -14.83 1 4 0 55 340.395 6 ↓

Analogs

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Popular Name: N-(2-chloro-4-fluoro-phenyl)-2-(3,5-dimethylisoxazol-4-yl)-N-isopropyl-acetamide N-(2-chloro-4-fluoro-phenyl)-2-(…

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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) 3.46 9.15 -15.05 0 4 0 46 324.783 4 ↓

Analogs

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Popular Name: (2S)-N-(3,4-diethoxyphenyl)-2-(3,5-dimethylisoxazol-4-yl)butanamide (2S)-N-(3,4-diethoxyphenyl)-2-(3…

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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) 2.84 7.54 -16.3 1 6 0 74 346.427 8 ↓

Analogs

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Popular Name: (2R)-N-(3,4-diethoxyphenyl)-2-(3,5-dimethylisoxazol-4-yl)butanamide (2R)-N-(3,4-diethoxyphenyl)-2-(3…

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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) 2.84 7.61 -16.47 1 6 0 74 346.427 8 ↓

Analogs

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Popular Name: (2R)-N-[2-(dimethylamino)phenyl]-2-(3,5-dimethylisoxazol-4-yl)propanamide (2R)-N-[2-(dimethylamino)phenyl]…

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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) 2.15 7.11 -11.56 1 5 0 58 287.363 4 ↓
Lo Low (pH 4.5-6) 2.15 7.47 -50.11 2 5 1 60 288.371 4 ↓

Analogs

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Popular Name: (2S)-N-[2-(dimethylamino)phenyl]-2-(3,5-dimethylisoxazol-4-yl)propanamide (2S)-N-[2-(dimethylamino)phenyl]…

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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) 2.15 7.03 -12.43 1 5 0 58 287.363 4 ↓
Lo Low (pH 4.5-6) 2.15 7.38 -50.21 2 5 1 60 288.371 4 ↓

Analogs

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Popular Name: 2-chloro-5-[[2-(5-chloro-3-methyl-isoxazol-4-yl)acetyl]amino]benzamide 2-chloro-5-[[2-(5-chloro-3-methy…

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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) 1.78 2.61 -20.69 3 6 0 98 328.155 4 ↓

Analogs

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Popular Name: N-(4-amino-3-methoxy-phenyl)-2-(3,5-dimethylisoxazol-4-yl)acetamide N-(4-amino-3-methoxy-phenyl)-2-(…

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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) 1.24 2.76 -16.7 3 6 0 90 275.308 4 ↓

Analogs

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Popular Name: N-(4-chloro-3-fluoro-phenyl)-2-(3,5-dimethylisoxazol-4-yl)acetamide N-(4-chloro-3-fluoro-phenyl)-2-(…

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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) 2.55 6.03 -19.09 1 4 0 55 282.702 3 ↓

Analogs

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Popular Name: 2-(3,5-dimethylisoxazol-4-yl)-N-(3,5-dimethylphenyl)-N-methyl-acetamide 2-(3,5-dimethylisoxazol-4-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) 2.85 8.53 -15.88 0 4 0 46 272.348 3 ↓

Analogs

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Popular Name: 2-(3,5-dimethylisoxazol-4-yl)-N-(2,3-dimethylphenyl)-N-methyl-acetamide 2-(3,5-dimethylisoxazol-4-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) 2.82 8.88 -16 0 4 0 46 272.348 3 ↓

Analogs

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Popular Name: N-(5-chloro-2-methylsulfanyl-phenyl)-2-(3,5-dimethylisoxazol-4-yl)acetamide N-(5-chloro-2-methylsulfanyl-phe…

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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) 2.82 7.13 -15.01 1 4 0 55 310.806 4 ↓

Analogs

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Popular Name: 2-(3,5-dimethylisoxazol-4-yl)-N-[2-(hydroxymethyl)phenyl]acetamide 2-(3,5-dimethylisoxazol-4-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) 1.07 3.08 -17.57 2 5 0 75 260.293 4 ↓

Analogs

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Popular Name: N-(2,3-difluorophenyl)-2-(3,5-dimethylisoxazol-4-yl)acetamide N-(2,3-difluorophenyl)-2-(3,5-di…

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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 5.63 -14.03 1 4 0 55 266.247 3 ↓

Analogs

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Popular Name: N-(2-chloro-4-iodo-phenyl)-2-(3,5-dimethylisoxazol-4-yl)acetamide N-(2-chloro-4-iodo-phenyl)-2-(3,…

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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) 3.47 7.19 -12.5 1 4 0 55 390.608 3 ↓

Parameters Provided:

ring.id = 3327
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 = 3327 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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