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Analogs

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Popular Name: 1-[(1-isopropylpyrazol-3-yl)methyl]indole-3-carboxylic 1-[(1-isopropylpyrazol-3-yl)meth…

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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) 2.75 9.81 -62.05 0 5 -1 63 282.323 4 ↓

Analogs

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Popular Name: 1-[(1-isopropylpyrazol-3-yl)methyl]indole-2-carboxylic 1-[(1-isopropylpyrazol-3-yl)meth…

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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) 3.06 9.57 -61.22 0 5 -1 63 282.323 4 ↓

Analogs

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Popular Name: 1-[(1-isopropylpyrazol-3-yl)methyl]indole-4-carboxylic 1-[(1-isopropylpyrazol-3-yl)meth…

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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) 2.77 9.72 -63.99 0 5 -1 63 282.323 4 ↓

Analogs

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Popular Name: 1-[(1-isopropylpyrazol-3-yl)methyl]indole-5-carboxylic 1-[(1-isopropylpyrazol-3-yl)meth…

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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) 3.14 9.8 -62.26 0 5 -1 63 282.323 4 ↓

Analogs

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Popular Name: 1-[(1-isopropylpyrazol-3-yl)methyl]indole-6-carboxylic 1-[(1-isopropylpyrazol-3-yl)meth…

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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) 3.14 9.8 -65.1 0 5 -1 63 282.323 4 ↓

Analogs

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Popular Name: 1-[(1-isopropylpyrazol-3-yl)methyl]indole-4-carbaldehyde 1-[(1-isopropylpyrazol-3-yl)meth…

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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) 2.99 8.96 -12.57 0 4 0 40 267.332 4 ↓

Analogs

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Popular Name: 1-[(1-isopropylpyrazol-3-yl)methyl]indole-3-carbaldehyde 1-[(1-isopropylpyrazol-3-yl)meth…

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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) 2.97 9 -11.38 0 4 0 40 267.332 4 ↓

Analogs

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Popular Name: [1-[(1-isopropylpyrazol-3-yl)methyl]indol-4-yl]methanol [1-[(1-isopropylpyrazol-3-yl)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) 2.54 6.75 -12.02 1 4 0 43 269.348 4 ↓

Analogs

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Popular Name: [1-[(1-isopropylpyrazol-3-yl)methyl]indol-4-yl]methanamine [1-[(1-isopropylpyrazol-3-yl)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) 2.39 7.27 -45.55 3 4 1 50 269.372 4 ↓
Hi High (pH 8-9.5) 2.39 6.87 -10.11 2 4 0 49 268.364 4 ↓

Analogs

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Popular Name: 1-[1-[(1-isopropylpyrazol-3-yl)methyl]indol-4-yl]-N-methyl-methanamine 1-[1-[(1-isopropylpyrazol-3-yl)m…

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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) 2.76 9.14 -40.21 2 4 1 39 283.399 5 ↓

Analogs

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Popular Name: 2-[1-[(1-isopropylpyrazol-3-yl)methyl]indol-3-yl]ethanamine 2-[1-[(1-isopropylpyrazol-3-yl)m…

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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) 2.16 8.09 -50.58 3 4 1 50 283.399 5 ↓

Analogs

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Popular Name: 2-[1-[(1-isopropylpyrazol-3-yl)methyl]indol-4-yl]ethanamine 2-[1-[(1-isopropylpyrazol-3-yl)m…

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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) 2.19 8.05 -49.04 3 4 1 50 283.399 5 ↓

Analogs

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Popular Name: [1-[(1-isopropylpyrazol-3-yl)methyl]indol-2-yl]methanamine [1-[(1-isopropylpyrazol-3-yl)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) 2.67 7.09 -54.98 3 4 1 50 269.372 4 ↓
Hi High (pH 8-9.5) 2.67 7.06 -7.98 2 4 0 49 268.364 4 ↓

Analogs

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Popular Name: [1-[(1-isopropylpyrazol-3-yl)methyl]indol-5-yl]methanamine [1-[(1-isopropylpyrazol-3-yl)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) 2.41 7.29 -47.26 3 4 1 50 269.372 4 ↓
Hi High (pH 8-9.5) 2.41 6.89 -10.23 2 4 0 49 268.364 4 ↓

Analogs

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Popular Name: [1-[(1-isopropylpyrazol-3-yl)methyl]indol-6-yl]methanamine [1-[(1-isopropylpyrazol-3-yl)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) 2.41 7.29 -47.01 3 4 1 50 269.372 4 ↓
Hi High (pH 8-9.5) 2.41 6.89 -10.38 2 4 0 49 268.364 4 ↓

Analogs

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Popular Name: 1-[1-[(1-isopropylpyrazol-3-yl)methyl]indol-2-yl]-N-methyl-methanamine 1-[1-[(1-isopropylpyrazol-3-yl)m…

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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) 3.05 8.96 -48.76 2 4 1 39 283.399 5 ↓
Hi High (pH 8-9.5) 3.05 8.18 -7.36 1 4 0 35 282.391 5 ↓

Analogs

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Popular Name: [1-[(1-isopropylpyrazol-3-yl)methyl]indol-3-yl]methanamine [1-[(1-isopropylpyrazol-3-yl)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) 2.36 7.33 -48.91 3 4 1 50 269.372 4 ↓
Hi High (pH 8-9.5) 2.36 6.92 -10.24 2 4 0 49 268.364 4 ↓

Analogs

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Popular Name: 1-[1-[(1-isopropylpyrazol-3-yl)methyl]indol-3-yl]-N-methyl-methanamine 1-[1-[(1-isopropylpyrazol-3-yl)m…

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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) 2.74 9.2 -43.41 2 4 1 39 283.399 5 ↓
Hi High (pH 8-9.5) 2.74 7.75 -9.06 1 4 0 35 282.391 5 ↓

Analogs

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Popular Name: 1-[1-[(1-isopropylpyrazol-3-yl)methyl]indol-5-yl]-N-methyl-methanamine 1-[1-[(1-isopropylpyrazol-3-yl)m…

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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) 2.78 9.17 -41.84 2 4 1 39 283.399 5 ↓

Analogs

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Popular Name: 1-[1-[(1-isopropylpyrazol-3-yl)methyl]indol-6-yl]-N-methyl-methanamine 1-[1-[(1-isopropylpyrazol-3-yl)m…

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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) 2.78 9.16 -41.54 2 4 1 39 283.399 5 ↓

Analogs

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Popular Name: 1-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]indol-5-amine 1-[[1-(1-ethylpropyl)pyrazol-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) 3.31 8.72 -9.77 2 4 0 49 282.391 5 ↓

Analogs

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Popular Name: 1-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]indol-5-amine 1-[[1-[(1R)-1-methylpropyl]pyraz…

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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 7.76 -10.47 2 4 0 49 268.364 4 ↓

Analogs

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Popular Name: 1-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]indol-5-amine 1-[[1-[(1S)-1-methylpropyl]pyraz…

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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 7.74 -10.33 2 4 0 49 268.364 4 ↓

Analogs

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Popular Name: 1-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]indol-6-amine 1-[[1-(1-ethylpropyl)pyrazol-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) 3.31 8.48 -10.08 2 4 0 49 282.391 5 ↓

Analogs

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Popular Name: 1-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]indol-6-amine 1-[[1-[(1R)-1-methylpropyl]pyraz…

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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 7.76 -10.45 2 4 0 49 268.364 4 ↓

Analogs

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Popular Name: 1-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]indol-6-amine 1-[[1-[(1S)-1-methylpropyl]pyraz…

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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 7.74 -10.26 2 4 0 49 268.364 4 ↓

Analogs

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Popular Name: 1-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]indol-4-amine 1-[[1-(1-ethylpropyl)pyrazol-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) 3.69 8.74 -9.89 2 4 0 49 282.391 5 ↓

Analogs

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Popular Name: 1-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]indol-4-amine 1-[[1-[(1R)-1-methylpropyl]pyraz…

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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) 3.19 7.78 -10.55 2 4 0 49 268.364 4 ↓

Analogs

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Popular Name: 1-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]indol-4-amine 1-[[1-[(1S)-1-methylpropyl]pyraz…

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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) 3.19 7.76 -10.4 2 4 0 49 268.364 4 ↓

Analogs

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Popular Name: 1-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]indole-4-carbaldehyde 1-[[1-[(1R)-1-methylpropyl]pyraz…

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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) 3.49 9.6 -12.48 0 4 0 40 281.359 5 ↓

Analogs

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Popular Name: 1-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]indole-4-carbaldehyde 1-[[1-[(1S)-1-methylpropyl]pyraz…

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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) 3.49 9.57 -12.38 0 4 0 40 281.359 5 ↓

Analogs

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Popular Name: 1-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]indole-3-carbaldehyde 1-[[1-[(1R)-1-methylpropyl]pyraz…

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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) 3.47 9.63 -11.31 0 4 0 40 281.359 5 ↓

Analogs

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Popular Name: 1-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]indole-3-carbaldehyde 1-[[1-[(1S)-1-methylpropyl]pyraz…

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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) 3.47 9.61 -11.16 0 4 0 40 281.359 5 ↓

Analogs

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Popular Name: [1-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]indol-4-yl]methanol [1-[[1-[(1R)-1-methylpropyl]pyra…

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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) 3.04 7.37 -11.96 1 4 0 43 283.375 5 ↓

Analogs

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Popular Name: [1-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]indol-4-yl]methanol [1-[[1-[(1S)-1-methylpropyl]pyra…

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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) 3.04 7.35 -11.85 1 4 0 43 283.375 5 ↓

Analogs

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Popular Name: [1-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]indol-4-yl]methanamine [1-[[1-[(1R)-1-methylpropyl]pyra…

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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 7.9 -45.39 3 4 1 50 283.399 5 ↓
Hi High (pH 8-9.5) 2.89 7.5 -10.05 2 4 0 49 282.391 5 ↓

Analogs

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Popular Name: [1-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]indol-4-yl]methanamine [1-[[1-[(1S)-1-methylpropyl]pyra…

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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 7.88 -45.55 3 4 1 50 283.399 5 ↓
Hi High (pH 8-9.5) 2.89 7.48 -9.87 2 4 0 49 282.391 5 ↓

Analogs

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Popular Name: 1-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]indole 1-[[1-(1-ethylpropyl)pyrazol-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) 4.25 10.6 -9.44 0 3 0 23 267.376 5 ↓

Analogs

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Popular Name: 1-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]-2-methyl-indole 1-[[1-(1-ethylpropyl)pyrazol-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) 4.48 11.29 -9.39 0 3 0 23 281.403 5 ↓

Analogs

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Popular Name: 2-methyl-1-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]indole 2-methyl-1-[[1-[(1R)-1-methylpro…

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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) 3.97 10.33 -10.08 0 3 0 23 267.376 4 ↓

Analogs

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Popular Name: 2-methyl-1-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]indole 2-methyl-1-[[1-[(1S)-1-methylpro…

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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) 3.97 10.31 -9.92 0 3 0 23 267.376 4 ↓

Analogs

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Popular Name: 1-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]-5-fluoro-indole 1-[[1-(1-ethylpropyl)pyrazol-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) 3.42 10.92 -9.09 0 3 0 23 285.366 5 ↓

Analogs

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Popular Name: 5-fluoro-1-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]indole 5-fluoro-1-[[1-[(1R)-1-methylpro…

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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) 2.92 9.96 -9.75 0 3 0 23 271.339 4 ↓

Analogs

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Popular Name: 5-fluoro-1-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]indole 5-fluoro-1-[[1-[(1S)-1-methylpro…

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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) 2.92 9.94 -9.65 0 3 0 23 271.339 4 ↓

Analogs

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Popular Name: [1-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]indol-2-yl]methanamine [1-[[1-[(1R)-1-methylpropyl]pyra…

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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) 3.18 7.72 -54.94 3 4 1 50 283.399 5 ↓
Hi High (pH 8-9.5) 3.18 7.33 -9.87 2 4 0 49 282.391 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]indol-2-yl]methanamine [1-[[1-[(1S)-1-methylpropyl]pyra…

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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) 3.18 7.7 -55.03 3 4 1 50 283.399 5 ↓
Hi High (pH 8-9.5) 3.18 7.31 -9.8 2 4 0 49 282.391 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]indol-5-yl]methanamine [1-[[1-[(1R)-1-methylpropyl]pyra…

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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 7.92 -47.04 3 4 1 50 283.399 5 ↓
Hi High (pH 8-9.5) 2.91 7.52 -10.17 2 4 0 49 282.391 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]indol-5-yl]methanamine [1-[[1-[(1S)-1-methylpropyl]pyra…

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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 7.9 -46.98 3 4 1 50 283.399 5 ↓
Hi High (pH 8-9.5) 2.91 7.5 -10.01 2 4 0 49 282.391 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[[1-[(1R)-1-methylpropyl]pyrazol-3-yl]methyl]indol-6-yl]methanamine [1-[[1-[(1R)-1-methylpropyl]pyra…

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Activity (Go SEA)

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 7.92 -46.85 3 4 1 50 283.399 5 ↓
Hi High (pH 8-9.5) 2.91 7.51 -10.27 2 4 0 49 282.391 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]indol-6-yl]methanamine [1-[[1-[(1S)-1-methylpropyl]pyra…

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Activity (Go SEA)

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 7.9 -46.6 3 4 1 50 283.399 5 ↓
Hi High (pH 8-9.5) 2.91 7.49 -10.19 2 4 0 49 282.391 5 ↓

Parameters Provided:

ring.id = 512939
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 = 512939 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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