UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[4-(5-methyl-3-phenyl-isoxazol-4-yl)phenyl]sulfonylhexanamide N-[4-(5-methyl-3-phenyl-isoxazol…

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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) 5.06 7.65 -52.31 0 6 -1 96 411.503 8 ↓
Lo Low (pH 4.5-6) 4.88 9.38 -16.64 1 6 0 89 412.511 8 ↓

Analogs

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Popular Name: 4-[[4-(5-methyl-3-phenyl-isoxazol-4-yl)phenyl]sulfonylamino]-4-oxo-butanoic 4-[[4-(5-methyl-3-phenyl-isoxazo…

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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) 2.40 6.09 -110.12 0 8 -2 136 412.423 7 ↓
Lo Low (pH 4.5-6) 2.40 4.11 -52.99 1 8 -1 133 413.431 7 ↓
Lo Low (pH 4.5-6) 2.22 7.83 -49.96 1 8 -1 129 413.431 7 ↓

Analogs

35824094
35824094

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Popular Name: N-[4-(5-methyl-3-phenyl-isoxazol-4-yl)phenyl]sulfonylformamide N-[4-(5-methyl-3-phenyl-isoxazol…

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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 3.34 -43.72 0 6 -1 96 341.368 4 ↓
Lo Low (pH 4.5-6) 2.49 4.83 -16.53 1 6 0 89 342.376 4 ↓

Analogs

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Popular Name: 2-[[4-(5-methyl-3-phenyl-isoxazol-4-yl)phenyl]sulfonylamino]acetic 2-[[4-(5-methyl-3-phenyl-isoxazo…

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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) 1.44 6.59 -46.91 1 7 -1 112 371.394 6 ↓

Analogs

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Popular Name: 3-(2-methoxy-5-methyl-phenyl)-4-phenyl-isoxazol-5-amine 3-(2-methoxy-5-methyl-phenyl)-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) 3.86 5.88 -10.45 2 4 0 61 280.327 3 ↓
Lo Low (pH 4.5-6) 3.86 5.81 -24.78 3 4 1 63 281.335 3 ↓

Analogs

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Popular Name: 3-(3-bromophenyl)-4-(2-chloro-4-fluoro-phenyl)isoxazol-5-amine 3-(3-bromophenyl)-4-(2-chloro-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) 4.98 6.76 -6.83 2 3 0 52 367.605 2 ↓

Analogs

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Popular Name: 4-(2-chloro-4-fluoro-phenyl)-3-(p-tolyl)isoxazol-5-amine 4-(2-chloro-4-fluoro-phenyl)-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) 4.64 6.82 -7.86 2 3 0 52 302.736 2 ↓
Lo Low (pH 4.5-6) 4.64 6.77 -28.01 3 3 1 53 303.744 2 ↓

Analogs

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Popular Name: 4-(2-chloro-4-fluoro-phenyl)-3-(2-iodophenyl)isoxazol-5-amine 4-(2-chloro-4-fluoro-phenyl)-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) 5.23 7.41 -7.88 2 3 0 52 414.605 2 ↓

Analogs

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Popular Name: 4-(2-chloro-4-fluoro-phenyl)-3-(o-tolyl)isoxazol-5-amine 4-(2-chloro-4-fluoro-phenyl)-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) 4.59 6.99 -7.19 2 3 0 52 302.736 2 ↓

Analogs

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Popular Name: 3-(2-bromophenyl)-4-(2-chloro-4-fluoro-phenyl)isoxazol-5-amine 3-(2-bromophenyl)-4-(2-chloro-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) 4.96 6.92 -8.54 2 3 0 52 367.605 2 ↓

Analogs

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Popular Name: 4-(2-chloro-4-fluoro-phenyl)-3-(2-chlorophenyl)isoxazol-5-amine 4-(2-chloro-4-fluoro-phenyl)-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) 4.82 6.77 -8.85 2 3 0 52 323.154 2 ↓

Analogs

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Popular Name: 4-(2-chloro-4-fluoro-phenyl)-3-(4-chlorophenyl)isoxazol-5-amine 4-(2-chloro-4-fluoro-phenyl)-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) 4.87 6.67 -6.99 2 3 0 52 323.154 2 ↓

Analogs

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Popular Name: 3-(4-bromophenyl)-4-(2-chloro-4-fluoro-phenyl)isoxazol-5-amine 3-(4-bromophenyl)-4-(2-chloro-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) 5.00 6.77 -6.84 2 3 0 52 367.605 2 ↓

Analogs

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Popular Name: 4-(2-chloro-4-fluoro-phenyl)-3-(4-fluorophenyl)isoxazol-5-amine 4-(2-chloro-4-fluoro-phenyl)-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) 4.36 6.22 -7.2 2 3 0 52 306.699 2 ↓

Analogs

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Popular Name: 4-(2-chloro-4-fluoro-phenyl)-3-(3-chlorophenyl)isoxazol-5-amine 4-(2-chloro-4-fluoro-phenyl)-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) 4.85 6.65 -6.88 2 3 0 52 323.154 2 ↓

Analogs

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Popular Name: 4-(2-chloro-4-fluoro-phenyl)-3-(m-tolyl)isoxazol-5-amine 4-(2-chloro-4-fluoro-phenyl)-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) 4.62 6.82 -8.05 2 3 0 52 302.736 2 ↓

Analogs

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Popular Name: 4-(2-chloro-4-fluoro-phenyl)-3-(3-fluorophenyl)isoxazol-5-amine 4-(2-chloro-4-fluoro-phenyl)-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) 4.33 6.22 -7.2 2 3 0 52 306.699 2 ↓

Analogs

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Popular Name: 4-(2-chloro-4-fluoro-phenyl)-3-(2-fluorophenyl)isoxazol-5-amine 4-(2-chloro-4-fluoro-phenyl)-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) 4.31 6.25 -10.56 2 3 0 52 306.699 2 ↓

Analogs

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Popular Name: 4-(2-chloro-4-fluoro-phenyl)-3-(4-iodophenyl)isoxazol-5-amine 4-(2-chloro-4-fluoro-phenyl)-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) 5.28 7.24 -6.69 2 3 0 52 414.605 2 ↓

Analogs

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Popular Name: 4-(2-chloro-4-fluoro-phenyl)-3-(3-iodophenyl)isoxazol-5-amine 4-(2-chloro-4-fluoro-phenyl)-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) 5.25 7.24 -6.61 2 3 0 52 414.605 2 ↓

Analogs

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Popular Name: 3-(5-fluoro-2-methyl-phenyl)-4-(o-tolyl)isoxazol-5-amine 3-(5-fluoro-2-methyl-phenyl)-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) 4.37 7.08 -6.67 2 3 0 52 282.318 2 ↓

Analogs

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Popular Name: 4-(3-chlorophenyl)-3-(5-fluoro-2-methyl-phenyl)isoxazol-5-amine 4-(3-chlorophenyl)-3-(5-fluoro-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) 4.62 7.05 -6.83 2 3 0 52 302.736 2 ↓

Analogs

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Popular Name: 3-(5-fluoro-2-methyl-phenyl)-4-phenyl-isoxazol-5-amine 3-(5-fluoro-2-methyl-phenyl)-4-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) 3.96 6.53 -7.11 2 3 0 52 268.291 2 ↓

Analogs

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Popular Name: 4-(4-bromophenyl)-3-(5-fluoro-2-methyl-phenyl)isoxazol-5-amine 4-(4-bromophenyl)-3-(5-fluoro-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) 4.77 7.16 -6.66 2 3 0 52 347.187 2 ↓

Analogs

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Popular Name: 4-(4-chlorophenyl)-3-(5-fluoro-2-methyl-phenyl)isoxazol-5-amine 4-(4-chlorophenyl)-3-(5-fluoro-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) 4.64 7.05 -6.72 2 3 0 52 302.736 2 ↓

Analogs

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Popular Name: 3-(5-fluoro-2-methyl-phenyl)-4-(4-fluorophenyl)isoxazol-5-amine 3-(5-fluoro-2-methyl-phenyl)-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) 4.13 6.6 -7.25 2 3 0 52 286.281 2 ↓

Analogs

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Popular Name: 3-(5-fluoro-2-methyl-phenyl)-4-(3-fluorophenyl)isoxazol-5-amine 3-(5-fluoro-2-methyl-phenyl)-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) 4.11 6.6 -7.39 2 3 0 52 286.281 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-bromophenyl)-3-(5-fluoro-2-methyl-phenyl)isoxazol-5-amine 4-(3-bromophenyl)-3-(5-fluoro-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) 4.75 7.15 -6.73 2 3 0 52 347.187 2 ↓

Analogs

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Popular Name: 3-(5-fluoro-2-methyl-phenyl)-4-(2-fluorophenyl)isoxazol-5-amine 3-(5-fluoro-2-methyl-phenyl)-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) 4.08 6.59 -8.76 2 3 0 52 286.281 2 ↓

Analogs

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Popular Name: 4-(2-chlorophenyl)-3-(5-fluoro-2-methyl-phenyl)isoxazol-5-amine 4-(2-chlorophenyl)-3-(5-fluoro-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) 4.59 6.99 -7.52 2 3 0 52 302.736 2 ↓

Analogs

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Popular Name: 3-(5-fluoro-2-methyl-phenyl)-4-(m-tolyl)isoxazol-5-amine 3-(5-fluoro-2-methyl-phenyl)-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) 4.39 7.19 -7.15 2 3 0 52 282.318 2 ↓

Analogs

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Popular Name: 3-(5-fluoro-2-methyl-phenyl)-4-(p-tolyl)isoxazol-5-amine 3-(5-fluoro-2-methyl-phenyl)-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) 4.41 7.15 -6.92 2 3 0 52 282.318 2 ↓

Analogs

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Popular Name: 4-(2-bromophenyl)-3-(5-fluoro-2-methyl-phenyl)isoxazol-5-amine 4-(2-bromophenyl)-3-(5-fluoro-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) 4.73 7.09 -7.37 2 3 0 52 347.187 2 ↓

Analogs

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Popular Name: 4-phenyl-3-(3,4,5-trifluorophenyl)isoxazol-5-amine 4-phenyl-3-(3,4,5-trifluoropheny…

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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) 3.77 5.95 -5.87 2 3 0 52 290.244 2 ↓

Analogs

61681378
61681378

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Popular Name: 3-(4-chlorophenyl)-4-(m-tolyl)isoxazol-5-amine 3-(4-chlorophenyl)-4-(m-tolyl)is…

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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) 4.53 6.9 -5.97 2 3 0 52 284.746 2 ↓

Analogs

36936613
36936613
37350201
37350201
37350255
37350255

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Popular Name: 3-(4-chlorophenyl)-4-(p-tolyl)isoxazol-5-amine 3-(4-chlorophenyl)-4-(p-tolyl)is…

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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) 4.55 6.97 -6.01 2 3 0 52 284.746 2 ↓

Analogs

44269486
44269486
44269543
44269543

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Popular Name: 4-(2-chlorophenyl)-3-(m-tolyl)isoxazol-5-amine 4-(2-chlorophenyl)-3-(m-tolyl)is…

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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) 4.48 6.74 -8.87 2 3 0 52 284.746 2 ↓

Analogs

41392605
41392605

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Popular Name: 4-(2-chlorophenyl)-3-(p-tolyl)isoxazol-5-amine 4-(2-chlorophenyl)-3-(p-tolyl)is…

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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) 4.50 6.75 -8.74 2 3 0 52 284.746 2 ↓
Lo Low (pH 4.5-6) 4.50 6.7 -25.13 3 3 1 53 285.754 2 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-4-(2-fluorophenyl)isoxazol-5-amine 3-(4-chlorophenyl)-4-(2-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) 4.22 6.21 -7.63 2 3 0 52 288.709 2 ↓

Analogs

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Popular Name: 4-(2-chlorophenyl)-3-(4-fluorophenyl)isoxazol-5-amine 4-(2-chlorophenyl)-3-(4-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) 4.22 6.14 -6.93 2 3 0 52 288.709 2 ↓

Analogs

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Popular Name: 4-(2-chlorophenyl)-3-(4-methoxyphenyl)isoxazol-5-amine 4-(2-chlorophenyl)-3-(4-methoxyp…

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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) 4.11 5.39 -8.94 2 4 0 61 300.745 3 ↓
Lo Low (pH 4.5-6) 4.11 5.33 -27.33 3 4 1 63 301.753 3 ↓

Analogs

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Popular Name: 4-(2-chlorophenyl)-3-(4-chlorophenyl)isoxazol-5-amine 4-(2-chlorophenyl)-3-(4-chloroph…

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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) 4.73 6.59 -6.7 2 3 0 52 305.164 2 ↓

Analogs

50039542
50039542

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Popular Name: 4-(3,4-dichlorophenyl)-3-phenyl-isoxazol-5-amine 4-(3,4-dichlorophenyl)-3-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) 4.71 6.69 -6.63 2 3 0 52 305.164 2 ↓

Analogs

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Popular Name: 3-(3-chlorophenyl)-4-(3,5-difluorophenyl)isoxazol-5-amine 3-(3-chlorophenyl)-4-(3,5-difluo…

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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) 4.33 6.37 -6.34 2 3 0 52 306.699 2 ↓

Analogs

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Popular Name: 3-(3-bromophenyl)-4-(3,5-difluorophenyl)isoxazol-5-amine 3-(3-bromophenyl)-4-(3,5-difluor…

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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) 4.47 6.47 -6.3 2 3 0 52 351.15 2 ↓

Analogs

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Popular Name: 4-(3,5-difluorophenyl)-3-(2-iodophenyl)isoxazol-5-amine 4-(3,5-difluorophenyl)-3-(2-iodo…

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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) 4.72 7.07 -7.32 2 3 0 52 398.15 2 ↓

Analogs

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Popular Name: 4-(3,5-difluorophenyl)-3-(o-tolyl)isoxazol-5-amine 4-(3,5-difluorophenyl)-3-(o-toly…

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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 6.6 -6.67 2 3 0 52 286.281 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-bromophenyl)-4-(3,5-difluorophenyl)isoxazol-5-amine 3-(2-bromophenyl)-4-(3,5-difluor…

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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) 4.44 6.58 -7.82 2 3 0 52 351.15 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-chlorophenyl)-4-(3,5-difluorophenyl)isoxazol-5-amine 3-(2-chlorophenyl)-4-(3,5-difluo…

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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) 4.31 6.49 -8.08 2 3 0 52 306.699 2 ↓

Analogs

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Popular Name: 3-(4-chlorophenyl)-4-(3,5-difluorophenyl)isoxazol-5-amine 3-(4-chlorophenyl)-4-(3,5-difluo…

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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) 4.36 6.37 -5.85 2 3 0 52 306.699 2 ↓

Parameters Provided:

ring.id = 14358
filter.purchasability = annotated
page.format = targets
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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 = 14358 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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