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Popular Name: 2-(chloromethyl)-5-(6-quinolyl)-1,3,4-oxadiazole 2-(chloromethyl)-5-(6-quinolyl)-…

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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 2.11 -9.92 0 4 0 52 245.669 2 ↓

Analogs

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Popular Name: 2-[(1S)-1-chloroethyl]-5-(6-quinolyl)-1,3,4-oxadiazole 2-[(1S)-1-chloroethyl]-5-(6-quin…

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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) 2.28 2.82 -9.57 0 4 0 52 259.696 2 ↓

Analogs

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Popular Name: 2-[(1R)-1-chloroethyl]-5-(6-quinolyl)-1,3,4-oxadiazole 2-[(1R)-1-chloroethyl]-5-(6-quin…

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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) 2.28 2.82 -9.56 0 4 0 52 259.696 2 ↓

Analogs

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Popular Name: 2-(2-chloroethyl)-5-(6-quinolyl)-1,3,4-oxadiazole 2-(2-chloroethyl)-5-(6-quinolyl)…

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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) 2.13 2.9 -8.97 0 4 0 52 259.696 3 ↓

Analogs

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Popular Name: 2-(3-chloropropyl)-5-(6-quinolyl)-1,3,4-oxadiazole 2-(3-chloropropyl)-5-(6-quinolyl…

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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 3.67 -11.27 0 4 0 52 273.723 4 ↓

Analogs

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Popular Name: 5-(6-quinolyl)-1,3,4-oxadiazol-2-amine 5-(6-quinolyl)-1,3,4-oxadiazol-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) 1.40 -1.08 -10.42 2 5 0 78 212.212 1 ↓

Analogs

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Popular Name: 5-(6-quinolyl)-1,3,4-oxadiazole-2-thiol 5-(6-quinolyl)-1,3,4-oxadiazole-…

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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) 2.31 1.31 -42.43 0 4 -1 52 228.256 1 ↓
Lo Low (pH 4.5-6) 1.58 1.87 -10.24 1 4 0 55 229.264 1 ↓

Analogs

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Popular Name: 2-[[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic 2-[[5-(6-quinolyl)-1,3,4-oxadiaz…

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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) 1.75 2.71 -43.82 0 6 -1 92 286.292 4 ↓

Analogs

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Popular Name: 3-[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]propanoic 3-[5-(6-quinolyl)-1,3,4-oxadiazo…

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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) 1.04 2.98 -46.06 0 6 -1 92 268.252 4 ↓

Analogs

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Popular Name: 4-[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]butanoic 4-[5-(6-quinolyl)-1,3,4-oxadiazo…

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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 3.76 -51.57 0 6 -1 92 282.279 5 ↓
Lo Low (pH 4.5-6) 1.31 1.78 -16.11 1 6 0 89 283.287 5 ↓

Analogs

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Popular Name: 2-[[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]methoxy]acetic 2-[[5-(6-quinolyl)-1,3,4-oxadiaz…

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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) 0.54 2.18 -53.32 0 7 -1 101 284.251 5 ↓

Analogs

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Popular Name: [5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]methanamine [5-(6-quinolyl)-1,3,4-oxadiazol-…

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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) 0.53 -1.1 -53.67 3 5 1 79 227.247 2 ↓
Hi High (pH 8-9.5) 0.53 -1.5 -10.38 2 5 0 78 226.239 2 ↓

Analogs

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Popular Name: 3-[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]propan-1-amine 3-[5-(6-quinolyl)-1,3,4-oxadiazo…

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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) 0.60 0.43 -53.31 3 5 1 79 255.301 4 ↓

Analogs

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Popular Name: 2-[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]ethanamine 2-[5-(6-quinolyl)-1,3,4-oxadiazo…

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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) 0.32 -0.35 -55.21 3 5 1 79 241.274 3 ↓

Analogs

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Popular Name: (1S)-1-[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]ethanamine (1S)-1-[5-(6-quinolyl)-1,3,4-oxa…

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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) -0.79 -0.41 -49.51 3 5 1 79 241.274 2 ↓
Hi High (pH 8-9.5) -0.79 -0.75 -9.58 2 5 0 78 240.266 2 ↓

Analogs

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Popular Name: (1R)-1-[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]ethanamine (1R)-1-[5-(6-quinolyl)-1,3,4-oxa…

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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) -0.79 -0.41 -49.54 3 5 1 79 241.274 2 ↓
Hi High (pH 8-9.5) -0.79 -0.81 -10.17 2 5 0 78 240.266 2 ↓

Analogs

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Popular Name: N-methyl-1-[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]methanamine N-methyl-1-[5-(6-quinolyl)-1,3,4…

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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) 0.90 0.77 -47.53 2 5 1 68 241.274 3 ↓
Hi High (pH 8-9.5) 0.90 -0.67 -9.62 1 5 0 64 240.266 3 ↓

Analogs

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Popular Name: N-[[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine N-[[5-(6-quinolyl)-1,3,4-oxadiaz…

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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) 1.28 1.63 -46.62 2 5 1 68 255.301 4 ↓
Hi High (pH 8-9.5) 1.28 0.26 -9.43 1 5 0 64 254.293 4 ↓

Analogs

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Popular Name: N-[[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine N-[[5-(6-quinolyl)-1,3,4-oxadiaz…

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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 2.38 -47.42 2 5 1 68 269.328 5 ↓
Hi High (pH 8-9.5) 1.78 1.03 -9.29 1 5 0 64 268.32 5 ↓

Analogs

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Popular Name: N-[[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine N-[[5-(6-quinolyl)-1,3,4-oxadiaz…

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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) 1.57 2.16 -44.63 2 5 1 68 269.328 4 ↓
Hi High (pH 8-9.5) 1.57 0.94 -9.27 1 5 0 64 268.32 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine 2-methyl-N-[[5-(6-quinolyl)-1,3,…

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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) 2.09 2.59 -42.07 2 5 1 68 283.355 4 ↓
Hi High (pH 8-9.5) 2.09 1.34 -8.99 1 5 0 64 282.347 4 ↓

Analogs

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Popular Name: N-methyl-3-[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]propan-1-amine N-methyl-3-[5-(6-quinolyl)-1,3,4…

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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) 1.58 2.31 -48.46 2 5 1 68 269.328 5 ↓

Analogs

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Popular Name: N-ethyl-3-[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]propan-1-amine N-ethyl-3-[5-(6-quinolyl)-1,3,4-…

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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) 1.60 3.16 -48.01 2 5 1 68 283.355 6 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]ethanamine (1S)-N-methyl-1-[5-(6-quinolyl)-…

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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) 1.46 1.26 -43.9 2 5 1 68 255.301 3 ↓
Hi High (pH 8-9.5) 1.46 -0.06 -8.82 1 5 0 64 254.293 3 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]ethanamine (1R)-N-methyl-1-[5-(6-quinolyl)-…

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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) 1.46 1.26 -43.91 2 5 1 68 255.301 3 ↓
Hi High (pH 8-9.5) 1.46 -0.01 -9.58 1 5 0 64 254.293 3 ↓

Analogs

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Popular Name: (1S)-N-ethyl-1-[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]ethanamine (1S)-N-ethyl-1-[5-(6-quinolyl)-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) 1.84 2.11 -42.62 2 5 1 68 269.328 4 ↓
Hi High (pH 8-9.5) 1.84 0.93 -9.36 1 5 0 64 268.32 4 ↓

Analogs

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Popular Name: (1R)-N-ethyl-1-[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]ethanamine (1R)-N-ethyl-1-[5-(6-quinolyl)-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) 1.84 2.11 -42.62 2 5 1 68 269.328 4 ↓
Hi High (pH 8-9.5) 1.84 0.87 -8.66 1 5 0 64 268.32 4 ↓

Analogs

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Popular Name: N-[(1S)-1-[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine N-[(1S)-1-[5-(6-quinolyl)-1,3,4-…

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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) 2.34 2.87 -43.24 2 5 1 68 283.355 5 ↓
Hi High (pH 8-9.5) 2.34 1.68 -9.23 1 5 0 64 282.347 5 ↓

Analogs

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Popular Name: N-[(1R)-1-[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine N-[(1R)-1-[5-(6-quinolyl)-1,3,4-…

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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) 2.34 2.87 -43.28 2 5 1 68 283.355 5 ↓
Hi High (pH 8-9.5) 2.34 1.63 -8.49 1 5 0 64 282.347 5 ↓

Analogs

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Popular Name: N-methyl-2-[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]ethanamine N-methyl-2-[5-(6-quinolyl)-1,3,4…

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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) 1.31 1.52 -50.02 2 5 1 68 255.301 4 ↓

Analogs

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Popular Name: N-ethyl-2-[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]ethanamine N-ethyl-2-[5-(6-quinolyl)-1,3,4-…

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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) 1.33 2.37 -48.9 2 5 1 68 269.328 5 ↓

Analogs

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Popular Name: N-[2-[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine N-[2-[5-(6-quinolyl)-1,3,4-oxadi…

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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) 1.83 3.13 -50.11 2 5 1 68 283.355 6 ↓

Analogs

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Popular Name: N-[2-[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine N-[2-[5-(6-quinolyl)-1,3,4-oxadi…

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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) 1.98 2.91 -47.69 2 5 1 68 283.355 5 ↓

Analogs

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Popular Name: 2-[(1S)-1-bromopropyl]-5-(6-quinolyl)-1,3,4-oxadiazole 2-[(1S)-1-bromopropyl]-5-(6-quin…

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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) 2.91 3.64 -8.69 0 4 0 52 318.174 3 ↓

Analogs

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Popular Name: 2-[(1R)-1-bromopropyl]-5-(6-quinolyl)-1,3,4-oxadiazole 2-[(1R)-1-bromopropyl]-5-(6-quin…

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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) 2.91 3.64 -8.7 0 4 0 52 318.174 3 ↓

Analogs

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Popular Name: (1S)-1-[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-1-[5-(6-quinolyl)-1,3,4-oxa…

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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) -0.29 0.4 -47.99 3 5 1 79 255.301 3 ↓
Hi High (pH 8-9.5) -0.29 0.03 -9.31 2 5 0 78 254.293 3 ↓

Analogs

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Popular Name: (1R)-1-[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-1-[5-(6-quinolyl)-1,3,4-oxa…

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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) -0.29 0.4 -48 3 5 1 79 255.301 3 ↓
Hi High (pH 8-9.5) -0.29 0.07 -8.12 2 5 0 78 254.293 3 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1S)-N-methyl-1-[5-(6-quinolyl)-…

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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) 1.96 2.15 -43 2 5 1 68 269.328 4 ↓
Hi High (pH 8-9.5) 1.96 1.11 -8.04 1 5 0 64 268.32 4 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-[5-(6-quinolyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (1R)-N-methyl-1-[5-(6-quinolyl)-…

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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) 1.96 2.16 -43.04 2 5 1 68 269.328 4 ↓
Hi High (pH 8-9.5) 1.96 0.8 -10.01 1 5 0 64 268.32 4 ↓

Parameters Provided:

ring.id = 214583
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 = 214583 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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