UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-(2-fluorophenyl)-5-[(1-phenylpyrazol-4-yl)methyl]-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine 3-(2-fluorophenyl)-5-[(1-phenylp…

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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) 3.27 3.73 -64.12 1 5 1 48 375.427 4 ↓

Analogs

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Popular Name: [3-(3,4-difluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]-(3-fluoro-4-methoxy-phenyl)meth [3-(3,4-difluorophenyl)-6,7-dihy…

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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) 3.07 3.74 -11.63 0 5 0 56 388.345 3 ↓

Analogs

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Popular Name: [3-(4-chlorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]-(3,5-dimethyl-2-furyl)methanone [3-(4-chlorophenyl)-6,7-dihydro-…

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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) 3.67 2.34 -9.63 0 5 0 59 356.809 2 ↓

Analogs

19743685
19743685

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Popular Name: [5-[(3-benzhydryl-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl)methyl]-2-furyl]methanol [5-[(3-benzhydryl-6,7-dihydro-4H…

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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) 4.06 1.3 -52.95 2 5 1 64 401.486 6 ↓

Analogs

11816701
11816701

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Popular Name: 3-(1,3-benzodioxol-5-yl)-5-[(1S)-1-methyl-2-(3-pyridyl)ethyl]-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin 3-(1,3-benzodioxol-5-yl)-5-[(1S)…

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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) 2.89 1.46 -58.76 1 6 1 62 364.425 4 ↓
Lo Low (pH 4.5-6) 2.89 1.58 -118.18 2 6 2 63 365.433 4 ↓

Analogs

11816700
11816700

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Popular Name: 3-(1,3-benzodioxol-5-yl)-5-[(1R)-1-methyl-2-(3-pyridyl)ethyl]-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin 3-(1,3-benzodioxol-5-yl)-5-[(1R)…

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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) 2.89 1.57 -54.5 1 6 1 62 364.425 4 ↓
Lo Low (pH 4.5-6) 2.89 1.68 -118.06 2 6 2 63 365.433 4 ↓

Analogs

11816926
11816926

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Popular Name: (3-benzhydryl-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl)-[(2S)-tetrahydrofuran-2-yl]methanone (3-benzhydryl-6,7-dihydro-4H-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) 3.53 1.55 -17.45 0 5 0 56 388.467 4 ↓

Analogs

11816925
11816925

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Popular Name: (3-benzhydryl-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl)-[(2R)-tetrahydrofuran-2-yl]methanone (3-benzhydryl-6,7-dihydro-4H-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) 3.53 1.57 -17.72 0 5 0 56 388.467 4 ↓

Analogs

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Popular Name: [3-(1-naphthyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]-tetrahydropyran-4-yl-methanone [3-(1-naphthyl)-6,7-dihydro-4H-i…

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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) 3.34 0.45 -17.27 0 5 0 56 362.429 2 ↓

Analogs

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Popular Name: ethyl ethyl

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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 0.32 -9.77 1 7 0 85 363.801 5 ↓

Analogs

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Popular Name: (4-methylthiazol-5-yl)-[3-(1-naphthyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]methanone (4-methylthiazol-5-yl)-[3-(1-nap…

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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) 3.69 0.74 -14.42 0 5 0 59 375.453 2 ↓

Analogs

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Popular Name: 3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine-5-carboxamide 3-(1,3-benzodioxol-5-yl)-N-cyclo…

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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) 4.10 -1.32 -14.13 1 7 0 77 369.421 2 ↓

Analogs

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Popular Name: 1-(3-benzhydryl-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl)-3-methylsulfanyl-propan-1-one 1-(3-benzhydryl-6,7-dihydro-4H-i…

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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) 3.95 2.14 -12.79 0 4 0 46 392.524 6 ↓

Analogs

12091246
12091246

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Popular Name: 5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(3-fluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin 5-[(3,5-dimethyl-1H-pyrazol-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) 1.91 -3.14 -13.1 1 7 0 92 376.413 3 ↓

Analogs

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Popular Name: [3-(3-fluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]-(1-isopropylbenzimidazol-5-yl)metha [3-(3-fluorophenyl)-6,7-dihydro-…

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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) 3.08 12.16 -16.1 0 6 0 64 404.445 3 ↓
Lo Low (pH 4.5-6) 3.08 12.6 -41.61 1 6 1 65 405.453 3 ↓

Analogs

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Popular Name: [3-(3-methoxyphenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]-(3-methyl-5,6-dihydro-1,4-dioxin-2 [3-(3-methoxyphenyl)-6,7-dihydro…

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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) 2.59 0.91 -15.36 0 7 0 74 356.378 3 ↓

Analogs

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Popular Name: [3-(3-fluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]-(6-methylimidazo[2,3-b]thiazol-5-yl [3-(3-fluorophenyl)-6,7-dihydro-…

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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 1.47 -15.35 0 6 0 64 382.42 2 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-5-[(1-methylbenzimidazol-2-yl)methyl]-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine 3-(4-chlorophenyl)-5-[(1-methylb…

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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) 3.85 1.17 -58.27 1 5 1 48 379.871 3 ↓
Mid Mid (pH 6-8) 3.85 1.34 -131.68 2 5 2 50 380.879 3 ↓

Analogs

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Popular Name: 3-(2-fluorophenyl)-5-(3-pyridylsulfonyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine 3-(2-fluorophenyl)-5-(3-pyridyls…

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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) 2.06 -2.5 -18.78 0 6 0 76 359.382 3 ↓
Lo Low (pH 4.5-6) 2.06 -2.39 -57.49 1 6 1 78 360.39 3 ↓

Analogs

11821427
11821427

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Popular Name: 5-[(1S)-1-methyl-2-(3-pyridyl)ethyl]-3-phenyl-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine 5-[(1S)-1-methyl-2-(3-pyridyl)et…

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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) 3.00 2.28 -52.41 1 4 1 43 320.416 4 ↓
Lo Low (pH 4.5-6) 3.00 2.39 -111.27 2 4 2 45 321.424 4 ↓

Analogs

11821426
11821426

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Popular Name: 5-[(1R)-1-methyl-2-(3-pyridyl)ethyl]-3-phenyl-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine 5-[(1R)-1-methyl-2-(3-pyridyl)et…

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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) 3.00 2.11 -53.15 1 4 1 43 320.416 4 ↓
Lo Low (pH 4.5-6) 3.00 2.23 -109.85 2 4 2 45 321.424 4 ↓

Analogs

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Popular Name: 3,3,3-trifluoro-1-[3-(1-naphthyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]propan-1-one 3,3,3-trifluoro-1-[3-(1-naphthyl…

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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) 3.78 3.57 -19.61 0 4 0 46 360.335 3 ↓

Analogs

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Popular Name: [(1R,4R,5S)-5-bicyclo[2.2.1]hept-2-enyl]-[3-(3-methoxyphenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin [(1R,4R,5S)-5-bicyclo[2.2.1]hept…

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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 1.34 -14.01 0 5 0 56 350.418 3 ↓

Analogs

14965942
14965942

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Popular Name: N,N-dimethyl-3-phenyl-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine-5-sulfonamide N,N-dimethyl-3-phenyl-6,7-dihydr…

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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 -2.94 -11.76 0 6 0 67 307.375 3 ↓

Analogs

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Popular Name: 3-(1,3-benzodioxol-5-yl)-5-[(E)-4-methylpent-2-enyl]-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine 3-(1,3-benzodioxol-5-yl)-5-[(E)-…

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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) 3.15 2.32 -52.9 1 5 1 49 327.404 4 ↓

Analogs

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Popular Name: [3-(1,3-benzodioxol-5-yl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]-(5-methoxy-2-furyl)methanone [3-(1,3-benzodioxol-5-yl)-6,7-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) 2.47 1.53 -12.71 0 8 0 87 368.345 3 ↓

Analogs

14981696
14981696

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Popular Name: N-(1,3-benzodioxol-5-yl)-3-(3,4-difluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine-5-carboxamid N-(1,3-benzodioxol-5-yl)-3-(3,4-…

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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) 3.60 1.16 -15.83 1 7 0 77 399.353 2 ↓

Analogs

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Popular Name: (3-ethynylphenyl)-[3-(3-fluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]methanone (3-ethynylphenyl)-[3-(3-fluoroph…

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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 3.76 -15.68 0 4 0 46 346.361 2 ↓

Analogs

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Popular Name: 1-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]but-2-yn-1-one 1-[3-[4-(trifluoromethyl)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) 3.30 4.39 -12.32 0 4 0 46 334.297 2 ↓

Analogs

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Popular Name: (2,5-dimethyl-3-furyl)-[3-(3-methoxyphenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]methanone (2,5-dimethyl-3-furyl)-[3-(3-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) 2.09 2.52 -13.75 0 6 0 69 352.39 3 ↓

Analogs

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Popular Name: [3-(3,4-difluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]-pyrazin-2-yl-methanone [3-(3,4-difluorophenyl)-6,7-dihy…

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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) 1.93 2.01 -9.84 0 6 0 72 342.305 2 ↓

Analogs

19744704
19744704

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Popular Name: 5-(3-furylmethyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine 5-(3-furylmethyl)-3-[4-(trifluor…

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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 5.57 -49.96 1 4 1 44 349.332 4 ↓

Analogs

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Popular Name: 3-(1,3-benzodioxol-5-yl)-5-(3-thienylmethyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine 3-(1,3-benzodioxol-5-yl)-5-(3-th…

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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) 2.98 1.28 -53.75 1 5 1 49 341.412 3 ↓

Analogs

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Popular Name: 5-[(E)-3-(2-furyl)-2-methyl-prop-2-enyl]-3-phenyl-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine 5-[(E)-3-(2-furyl)-2-methyl-prop…

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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) 4.08 3.71 -49.62 1 4 1 44 321.4 4 ↓

Analogs

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Popular Name: (2S)-2-hydroxy-1-[3-(1-naphthyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]propan-1-one (2S)-2-hydroxy-1-[3-(1-naphthyl)…

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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) 2.32 7.11 -17.76 1 5 0 67 322.364 2 ↓

Analogs

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Popular Name: (2R)-2-hydroxy-1-[3-(1-naphthyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]propan-1-one (2R)-2-hydroxy-1-[3-(1-naphthyl)…

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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) 2.32 7.21 -18.35 1 5 0 67 322.364 2 ↓

Analogs

11998688
11998688

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Popular Name: [(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-[3-(3-fluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5 [(2S)-2,3-dihydro-1,4-benzodioxi…

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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) 2.71 1.81 -17.1 0 6 0 65 380.375 2 ↓

Analogs

11998686
11998686

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Popular Name: [(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-[3-(3-fluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5 [(2R)-2,3-dihydro-1,4-benzodioxi…

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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) 2.71 1.81 -17.33 0 6 0 65 380.375 2 ↓

Analogs

11999265
11999265
14975833
14975833
14975836
14975836

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Popular Name: [3-(3,4-difluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]-[(4S)-2,2-dimethyltetrahydropyr [3-(3,4-difluorophenyl)-6,7-dihy…

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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) 3.25 2.39 -14.49 0 5 0 56 376.403 2 ↓

Analogs

14975833
14975833
14975836
14975836
11999264
11999264

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Popular Name: [3-(3,4-difluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]-[(4R)-2,2-dimethyltetrahydropyr [3-(3,4-difluorophenyl)-6,7-dihy…

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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) 3.25 2.36 -14.48 0 5 0 56 376.403 2 ↓

Analogs

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Popular Name: 1-[3-(4-chlorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]-2-phenylsulfanyl-ethanone 1-[3-(4-chlorophenyl)-6,7-dihydr…

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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) 4.16 0.84 -14.97 0 4 0 46 384.888 4 ↓

Analogs

12004963
12004963

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Popular Name: (2R)-1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]-2-phenoxy-propan-1-one (2R)-1-[3-(3,4-difluorophenyl)-6…

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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) 3.73 3.55 -17.14 0 5 0 56 384.382 4 ↓

Analogs

12004959
12004959

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Popular Name: (2S)-1-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]-2-phenoxy-propan-1-one (2S)-1-[3-(3,4-difluorophenyl)-6…

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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) 3.73 3.51 -13.45 0 5 0 56 384.382 4 ↓

Analogs

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Popular Name: [3-(4-chlorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]-(2-methylsulfanylthiazol-4-yl)metha [3-(4-chlorophenyl)-6,7-dihydro-…

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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) 3.71 0.08 -9.28 0 5 0 59 391.905 3 ↓

Analogs

12022686
12022686

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Popular Name: 5-[[(1R)-1-cyclohex-3-enyl]methyl]-3-phenyl-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine 5-[[(1R)-1-cyclohex-3-enyl]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) 3.91 2.83 -48.6 1 3 1 30 295.406 3 ↓

Analogs

12022682
12022682

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Popular Name: 5-[[(1S)-1-cyclohex-3-enyl]methyl]-3-phenyl-6,7-dihydro-4H-isoxazolo[4,5-c]pyridine 5-[[(1S)-1-cyclohex-3-enyl]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) 3.91 2.75 -48.53 1 3 1 30 295.406 3 ↓

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) 1.92 3.09 -16.51 0 7 0 86 381.363 4 ↓

Analogs

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Popular Name: [3-(3,4-difluorophenyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]-[5-(methoxymethyl)-2-furyl]meth [3-(3,4-difluorophenyl)-6,7-dihy…

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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 2.91 -9.47 0 6 0 69 374.343 4 ↓

Analogs

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Popular Name: 6-[3-(2-fluorophenyl)6,7-dihydro-4H-isoxazolo[4,5-c]pyridine-5-carbonyl]-2-methyl-pyridazin-3-one 6-[3-(2-fluorophenyl)6,7-dihydro…

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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 1.51 -16.33 0 7 0 81 354.341 2 ↓

Analogs

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Popular Name: 1-[3-(1-naphthyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]-2-(1,2,4-triazol-1-yl)ethanone 1-[3-(1-naphthyl)-6,7-dihydro-4H…

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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 1.84 -26.47 0 7 0 77 359.389 3 ↓

Parameters Provided:

ring.id = 46500
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 = 46500 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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