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Analogs

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Popular Name: (R)-(1-methylimidazol-2-yl)-(1H-pyrazol-5-yl)methanamine (R)-(1-methylimidazol-2-yl)-(1H-…

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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 1.19 -28.78 4 5 1 74 178.219 2 ↓
Hi High (pH 8-9.5) -0.32 0.54 -9.54 3 5 0 73 177.211 2 ↓
Lo Low (pH 4.5-6) -0.32 0.86 -44.56 4 5 1 74 178.219 2 ↓

Analogs

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Popular Name: (S)-(1-methylimidazol-2-yl)-(1H-pyrazol-5-yl)methanamine (S)-(1-methylimidazol-2-yl)-(1H-…

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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 1.01 -27.54 4 5 1 74 178.219 2 ↓
Hi High (pH 8-9.5) -0.32 0.43 -12.01 3 5 0 73 177.211 2 ↓
Lo Low (pH 4.5-6) -0.32 0.76 -42.71 4 5 1 74 178.219 2 ↓

Analogs

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Popular Name: (R)-(1-ethylimidazol-2-yl)-(1H-pyrazol-5-yl)methanamine (R)-(1-ethylimidazol-2-yl)-(1H-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) 0.06 2.02 -27 4 5 1 74 192.246 3 ↓
Hi High (pH 8-9.5) 0.06 1.45 -10.14 3 5 0 73 191.238 3 ↓
Lo Low (pH 4.5-6) 0.06 1.76 -43.96 4 5 1 74 192.246 3 ↓

Analogs

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Popular Name: (S)-(1-ethylimidazol-2-yl)-(1H-pyrazol-5-yl)methanamine (S)-(1-ethylimidazol-2-yl)-(1H-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) 0.06 1.78 -28.35 4 5 1 74 192.246 3 ↓
Hi High (pH 8-9.5) 0.06 1.33 -11.15 3 5 0 73 191.238 3 ↓
Lo Low (pH 4.5-6) 0.06 1.66 -42.24 4 5 1 74 192.246 3 ↓

Analogs

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Popular Name: (R)-(1-propylimidazol-2-yl)-(1H-pyrazol-5-yl)methanamine (R)-(1-propylimidazol-2-yl)-(1H-…

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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) 0.56 2.78 -27.01 4 5 1 74 206.273 4 ↓
Hi High (pH 8-9.5) 0.56 2.2 -8.67 3 5 0 73 205.265 4 ↓
Lo Low (pH 4.5-6) 0.56 2.51 -43.89 4 5 1 74 206.273 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(1-propylimidazol-2-yl)-(1H-pyrazol-5-yl)methanamine (S)-(1-propylimidazol-2-yl)-(1H-…

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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) 0.56 2.54 -28.25 4 5 1 74 206.273 4 ↓
Hi High (pH 8-9.5) 0.56 2.09 -11.09 3 5 0 73 205.265 4 ↓
Lo Low (pH 4.5-6) 0.56 2.42 -42.08 4 5 1 74 206.273 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-(1-methylimidazol-2-yl)-1-(1H-pyrazol-5-yl)methanamine (1S)-N-methyl-1-(1-methylimidazo…

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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) 0.06 1.68 -26.38 3 5 1 60 192.246 3 ↓
Hi High (pH 8-9.5) 0.06 1.11 -13.47 2 5 0 59 191.238 3 ↓
Lo Low (pH 4.5-6) 0.06 2.6 -36.52 3 5 1 63 192.246 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-methyl-1-(1-methylimidazol-2-yl)-1-(1H-pyrazol-5-yl)methanamine (1R)-N-methyl-1-(1-methylimidazo…

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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) 0.06 2.15 -28 3 5 1 60 192.246 3 ↓
Hi High (pH 8-9.5) 0.06 1.6 -9.57 2 5 0 59 191.238 3 ↓
Lo Low (pH 4.5-6) 0.06 2.34 -36.31 3 5 1 63 192.246 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(1-methylimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]ethanamine N-[(S)-(1-methylimidazol-2-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) 0.43 2.67 -26.79 3 5 1 60 206.273 4 ↓
Hi High (pH 8-9.5) 0.43 2.05 -13.26 2 5 0 59 205.265 4 ↓
Lo Low (pH 4.5-6) 0.43 3.43 -35.07 3 5 1 63 206.273 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(1-methylimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]ethanamine N-[(R)-(1-methylimidazol-2-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) 0.43 2.82 -27.28 3 5 1 60 206.273 4 ↓
Hi High (pH 8-9.5) 0.43 2.54 -9.34 2 5 0 59 205.265 4 ↓
Lo Low (pH 4.5-6) 0.43 3.19 -34.91 3 5 1 63 206.273 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(1-methylimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]propan-1-amine N-[(S)-(1-methylimidazol-2-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) 0.94 3.59 -26.19 3 5 1 60 220.3 5 ↓
Hi High (pH 8-9.5) 0.94 2.79 -13.12 2 5 0 59 219.292 5 ↓
Lo Low (pH 4.5-6) 0.94 3.93 -35.41 3 5 1 63 220.3 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(1-methylimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]propan-1-amine N-[(R)-(1-methylimidazol-2-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) 0.94 3.59 -27.46 3 5 1 60 220.3 5 ↓
Hi High (pH 8-9.5) 0.94 3.26 -9.1 2 5 0 59 219.292 5 ↓
Lo Low (pH 4.5-6) 0.94 3.94 -35.24 3 5 1 63 220.3 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(1-ethylimidazol-2-yl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine (1R)-1-(1-ethylimidazol-2-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) 0.43 2.69 -25.88 3 5 1 60 206.273 4 ↓
Hi High (pH 8-9.5) 0.43 2.19 -10.31 2 5 0 59 205.265 4 ↓
Lo Low (pH 4.5-6) 0.43 3.37 -39.16 3 5 1 63 206.273 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(1-ethylimidazol-2-yl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine (1S)-1-(1-ethylimidazol-2-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) 0.43 2.48 -27.87 3 5 1 60 206.273 4 ↓
Hi High (pH 8-9.5) 0.43 1.99 -12.54 2 5 0 59 205.265 4 ↓
Lo Low (pH 4.5-6) 0.43 3.3 -37.83 3 5 1 63 206.273 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(1-ethylimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]ethanamine N-[(S)-(1-ethylimidazol-2-yl)-(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) 0.81 3.46 -26.06 3 5 1 60 220.3 5 ↓
Hi High (pH 8-9.5) 0.81 2.96 -12.83 2 5 0 59 219.292 5 ↓
Lo Low (pH 4.5-6) 0.81 4.16 -34.86 3 5 1 63 220.3 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(1-ethylimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]ethanamine N-[(R)-(1-ethylimidazol-2-yl)-(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) 0.81 3.74 -26.56 3 5 1 60 220.3 5 ↓
Hi High (pH 8-9.5) 0.81 3.46 -8.97 2 5 0 59 219.292 5 ↓
Lo Low (pH 4.5-6) 0.81 4.08 -34.09 3 5 1 63 220.3 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(1-ethylimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]propan-1-amine N-[(S)-(1-ethylimidazol-2-yl)-(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) 1.31 4.28 -25.54 3 5 1 60 234.327 6 ↓
Hi High (pH 8-9.5) 1.31 3.77 -11.4 2 5 0 59 233.319 6 ↓
Lo Low (pH 4.5-6) 1.31 4.93 -35.21 3 5 1 63 234.327 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(1-ethylimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]propan-1-amine N-[(R)-(1-ethylimidazol-2-yl)-(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) 1.31 4.47 -26.74 3 5 1 60 234.327 6 ↓
Hi High (pH 8-9.5) 1.31 3.82 -9.42 2 5 0 59 233.319 6 ↓
Lo Low (pH 4.5-6) 1.31 5.11 -34.28 3 5 1 63 234.327 6 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-(1-propylimidazol-2-yl)-1-(1H-pyrazol-5-yl)methanamine (1R)-N-methyl-1-(1-propylimidazo…

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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) 0.94 3.45 -25.93 3 5 1 60 220.3 5 ↓
Hi High (pH 8-9.5) 0.94 2.94 -9.92 2 5 0 59 219.292 5 ↓
Lo Low (pH 4.5-6) 0.94 4.12 -39.07 3 5 1 63 220.3 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-methyl-1-(1-propylimidazol-2-yl)-1-(1H-pyrazol-5-yl)methanamine (1S)-N-methyl-1-(1-propylimidazo…

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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) 0.94 3.24 -27.71 3 5 1 60 220.3 5 ↓
Hi High (pH 8-9.5) 0.94 2.75 -12.12 2 5 0 59 219.292 5 ↓
Lo Low (pH 4.5-6) 0.94 4.05 -37.62 3 5 1 63 220.3 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(1-propylimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]ethanamine N-[(R)-(1-propylimidazol-2-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) 1.31 4.38 -25.18 3 5 1 60 234.327 6 ↓
Hi High (pH 8-9.5) 1.31 3.79 -9.59 2 5 0 59 233.319 6 ↓
Lo Low (pH 4.5-6) 1.31 4.84 -33.83 3 5 1 63 234.327 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(1-propylimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]ethanamine N-[(S)-(1-propylimidazol-2-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) 1.31 4.17 -27.74 3 5 1 60 234.327 6 ↓
Hi High (pH 8-9.5) 1.31 3.67 -11.83 2 5 0 59 233.319 6 ↓
Lo Low (pH 4.5-6) 1.31 4.92 -34.62 3 5 1 63 234.327 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(1-propylimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]propan-1-amine N-[(S)-(1-propylimidazol-2-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) 1.81 5.03 -25.36 3 5 1 60 248.354 7 ↓
Hi High (pH 8-9.5) 1.81 4.52 -10.96 2 5 0 59 247.346 7 ↓
Lo Low (pH 4.5-6) 1.81 5.68 -34.93 3 5 1 63 248.354 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(1-propylimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]propan-1-amine N-[(R)-(1-propylimidazol-2-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) 1.81 5.23 -26.78 3 5 1 60 248.354 7 ↓
Hi High (pH 8-9.5) 1.81 4.56 -9.08 2 5 0 59 247.346 7 ↓
Lo Low (pH 4.5-6) 1.81 5.86 -34.08 3 5 1 63 248.354 7 ↓

Analogs

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Popular Name: (R)-(1-methylimidazol-2-yl)-(1H-pyrazol-5-yl)methanol (R)-(1-methylimidazol-2-yl)-(1H-…

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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) -0.36 0.96 -29.94 3 5 1 68 179.203 2 ↓
Mid Mid (pH 6-8) -0.36 0.28 -10.39 2 5 0 67 178.195 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(1-methylimidazol-2-yl)-(1H-pyrazol-5-yl)methanol (S)-(1-methylimidazol-2-yl)-(1H-…

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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) -0.36 0.8 -29.76 3 5 1 68 179.203 2 ↓
Mid Mid (pH 6-8) -0.36 0.18 -12.37 2 5 0 67 178.195 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(1-ethylimidazol-2-yl)-(1H-pyrazol-5-yl)methanol (R)-(1-ethylimidazol-2-yl)-(1H-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) 0.02 1.8 -29.14 3 5 1 68 193.23 3 ↓
Mid Mid (pH 6-8) 0.02 1.18 -9.98 2 5 0 67 192.222 3 ↓

Analogs

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Popular Name: (S)-(1-ethylimidazol-2-yl)-(1H-pyrazol-5-yl)methanol (S)-(1-ethylimidazol-2-yl)-(1H-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) 0.02 1.59 -29.02 3 5 1 68 193.23 3 ↓
Mid Mid (pH 6-8) 0.02 1.09 -11.8 2 5 0 67 192.222 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (R)-(1-propylimidazol-2-yl)-(1H-pyrazol-5-yl)methanol (R)-(1-propylimidazol-2-yl)-(1H-…

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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) 0.52 2.56 -29.22 3 5 1 68 207.257 4 ↓
Mid Mid (pH 6-8) 0.52 1.93 -9.55 2 5 0 67 206.249 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (S)-(1-propylimidazol-2-yl)-(1H-pyrazol-5-yl)methanol (S)-(1-propylimidazol-2-yl)-(1H-…

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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) 0.52 2.35 -28.96 3 5 1 68 207.257 4 ↓
Mid Mid (pH 6-8) 0.52 1.84 -11.34 2 5 0 67 206.249 4 ↓

Parameters Provided:

ring.id = 271001
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 = 271001 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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