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Analogs

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Popular Name: [4-(2-oxopyrrolidin-1-yl)phenyl] [4-(2-oxopyrrolidin-1-yl)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) 2.48 9.92 -19.94 0 6 0 73 336.347 5 ↓

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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) 4.55 10.29 -18.17 1 8 0 100 466.515 9 ↓

Analogs

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Popular Name: 3-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]-3-oxo-propyl]-6,7-dimethoxy-quinazolin-4-one 3-[3-[4-(6-fluoro-1,2-benzoxazol…

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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) 2.46 10.66 -22.3 0 9 0 100 480.496 6 ↓

Analogs

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Popular Name: [3-(3,4,5-trifluorophenyl)-1,2-benzoxazol-6-yl] [3-(3,4,5-trifluorophenyl)-1,2-b…

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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) 4.51 9.9 -10.51 0 5 0 65 359.259 4 ↓

Analogs

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Popular Name: 3-(1,2-benzoxazol-3-yloxy)propan-1-amine 3-(1,2-benzoxazol-3-yloxy)propan…

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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 1.01 -48.78 3 4 1 63 193.226 4 ↓

Analogs

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Popular Name: 2-[(5,7-dichloro-1,2-benzoxazol-3-yl)oxy]ethanamine 2-[(5,7-dichloro-1,2-benzoxazol-…

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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) 1.97 1.31 -48.29 3 4 1 63 248.089 3 ↓
Hi High (pH 8-9.5) 1.97 0.92 -4.53 2 4 0 61 247.081 3 ↓

Analogs

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Popular Name: 2-[(5-fluoro-1,2-benzoxazol-3-yl)sulfanyl]ethanamine 2-[(5-fluoro-1,2-benzoxazol-3-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) 0.42 3.26 -49.61 3 3 1 54 213.257 3 ↓
Hi High (pH 8-9.5) 0.42 2.87 -6.05 2 3 0 52 212.249 3 ↓

Analogs

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Popular Name: 2-[(7-methyl-1,2-benzoxazol-3-yl)sulfanyl]ethanamine 2-[(7-methyl-1,2-benzoxazol-3-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) 1.66 3.87 -50.46 3 3 1 54 209.294 3 ↓
Hi High (pH 8-9.5) 1.66 3.48 -8.28 2 3 0 52 208.286 3 ↓

Analogs

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Popular Name: 2-[(7-methoxy-1,2-benzoxazol-3-yl)sulfanyl]ethanamine 2-[(7-methoxy-1,2-benzoxazol-3-y…

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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) 1.26 2.49 -53.61 3 4 1 63 225.293 4 ↓
Hi High (pH 8-9.5) 1.26 2.09 -11.14 2 4 0 61 224.285 4 ↓

Analogs

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Popular Name: 3-(2-aminoethylsulfanyl)-1,2-benzoxazol-7-amine 3-(2-aminoethylsulfanyl)-1,2-ben…

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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) 0.69 1.07 -50.16 5 4 1 80 210.282 3 ↓
Hi High (pH 8-9.5) 0.69 0.68 -8.13 4 4 0 78 209.274 3 ↓

Analogs

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Popular Name: 2-[(7-methyl-4-methylsulfanyl-1,2-benzoxazol-3-yl)oxy]ethanamine 2-[(7-methyl-4-methylsulfanyl-1,…

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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 1.97 -45.77 3 4 1 63 239.32 4 ↓
Hi High (pH 8-9.5) 1.50 1.54 -9.63 2 4 0 61 238.312 4 ↓

Analogs

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Popular Name: 3-(2-aminoethoxy)-1,2-benzoxazole-5-carbonitrile 3-(2-aminoethoxy)-1,2-benzoxazol…

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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) 0.44 0.68 -50.05 3 5 1 87 204.209 3 ↓
Hi High (pH 8-9.5) 0.44 0.25 -8.24 2 5 0 85 203.201 3 ↓

Analogs

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Popular Name: 2-(1,2-benzoxazol-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide 2-(1,2-benzoxazol-3-yl)-N-[2-(tr…

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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) 5.33 5.41 -17.75 1 4 0 55 304.293 6 ↓

Analogs

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Popular Name: 2-(1,2-benzoxazol-3-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone 2-(1,2-benzoxazol-3-yl)-1-[4-(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) 1.82 7.52 -51.44 1 6 1 54 343.451 5 ↓
Hi High (pH 8-9.5) 1.82 5.07 -15.99 0 6 0 53 342.443 5 ↓

Analogs

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Popular Name: N-[(3-aminophenyl)methyl]-2-(1,2-benzoxazol-3-yl)acetamide N-[(3-aminophenyl)methyl]-2-(1,2…

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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) 1.70 4.5 -16.33 3 5 0 81 281.315 4 ↓

Analogs

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Popular Name: N-[4-[(2-benzo[d]isoxazol-3-ylacetyl)aminomethyl]phenyl]furan-2-carboxamide N-[4-[(2-benzo[d]isoxazol-3-ylac…

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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) 2.80 -0.84 -22 2 7 0 97 375.384 6 ↓

Analogs

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Popular Name: 2-(1,2-benzoxazol-3-yl)-N-[2-(morpholine-4-carbonyl)benzofuran-3-yl]acetamide 2-(1,2-benzoxazol-3-yl)-N-[2-(mo…

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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) 2.73 6.9 -17.11 1 8 0 98 405.41 4 ↓