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Analogs

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Popular Name: 2-(3-methylpyrazol-1-yl)quinolin-6-amine 2-(3-methylpyrazol-1-yl)quinolin…

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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 5.62 -9.73 2 4 0 57 224.267 1 ↓

Analogs

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Popular Name: 2-(3-methylpyrazol-1-yl)quinoline-4-carboxylic 2-(3-methylpyrazol-1-yl)quinolin…

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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 8.2 -53.41 0 5 -1 71 252.253 2 ↓

Analogs

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Popular Name: 2-(3-isopropylpyrazol-1-yl)quinolin-6-amine 2-(3-isopropylpyrazol-1-yl)quino…

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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 6.88 -9.17 2 4 0 57 252.321 2 ↓

Analogs

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Popular Name: 2-(3-methylpyrazol-1-yl)quinoline-3-carbaldehyde 2-(3-methylpyrazol-1-yl)quinolin…

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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) 2.37 7.65 -9.77 0 4 0 48 237.262 2 ↓

Analogs

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Popular Name: 2-(3-isopropylpyrazol-1-yl)quinoline-3-carbaldehyde 2-(3-isopropylpyrazol-1-yl)quino…

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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) 3.43 8.91 -9.22 0 4 0 48 265.316 3 ↓

Analogs

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Popular Name: 2-(3-methylpyrazol-1-yl)quinoline-3-carboxylic 2-(3-methylpyrazol-1-yl)quinolin…

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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) 2.15 8.51 -58.65 0 5 -1 71 252.253 2 ↓

Analogs

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Popular Name: [2-(3-methylpyrazol-1-yl)-3-quinolyl]methanol [2-(3-methylpyrazol-1-yl)-3-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) 1.92 5.4 -9.59 1 4 0 51 239.278 2 ↓

Analogs

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Popular Name: [2-(3-isopropylpyrazol-1-yl)-3-quinolyl]methanol [2-(3-isopropylpyrazol-1-yl)-3-q…

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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) 2.98 6.66 -9.05 1 4 0 51 267.332 3 ↓

Analogs

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Popular Name: 3-(chloromethyl)-2-(3-methylpyrazol-1-yl)quinoline 3-(chloromethyl)-2-(3-methylpyra…

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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) 3.16 9.27 -9.35 0 3 0 31 257.724 2 ↓

Analogs

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Popular Name: 3-(chloromethyl)-2-(3-isopropylpyrazol-1-yl)quinoline 3-(chloromethyl)-2-(3-isopropylp…

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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) 4.21 10.53 -8.95 0 3 0 31 285.778 3 ↓

Analogs

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Popular Name: N-[[2-(3-methylpyrazol-1-yl)-3-quinolyl]methyl]ethanamine N-[[2-(3-methylpyrazol-1-yl)-3-q…

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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) 2.52 9.16 -36.03 2 4 1 47 267.356 4 ↓
Mid Mid (pH 6-8) 2.52 8.02 -8.69 1 4 0 43 266.348 4 ↓

Analogs

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Popular Name: N-[[2-(3-methylpyrazol-1-yl)-3-quinolyl]methyl]propan-1-amine N-[[2-(3-methylpyrazol-1-yl)-3-q…

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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) 3.02 9.91 -36.34 2 4 1 47 281.383 5 ↓
Hi High (pH 8-9.5) 3.02 8.79 -8.49 1 4 0 43 280.375 5 ↓

Analogs

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Popular Name: N-methyl-1-[2-(3-methylpyrazol-1-yl)-3-quinolyl]methanamine N-methyl-1-[2-(3-methylpyrazol-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) 2.14 8.31 -37.09 2 4 1 47 253.329 3 ↓
Mid Mid (pH 6-8) 2.14 6.85 -8.36 1 4 0 43 252.321 3 ↓

Analogs

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Popular Name: N-[[2-(3-methylpyrazol-1-yl)-3-quinolyl]methyl]propan-2-amine N-[[2-(3-methylpyrazol-1-yl)-3-q…

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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) 2.81 9.54 -34.78 2 4 1 47 281.383 4 ↓
Hi High (pH 8-9.5) 2.81 8.18 -7.63 1 4 0 43 280.375 4 ↓

Analogs

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Popular Name: [2-(3-methylpyrazol-1-yl)-3-quinolyl]methanamine [2-(3-methylpyrazol-1-yl)-3-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) 1.76 6.38 -41.31 3 4 1 58 239.302 2 ↓
Mid Mid (pH 6-8) 1.76 5.91 -9.6 2 4 0 57 238.294 2 ↓

Analogs

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Popular Name: 1-[2-(3-isopropylpyrazol-1-yl)-3-quinolyl]-N-methyl-methanamine 1-[2-(3-isopropylpyrazol-1-yl)-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) 3.20 9.56 -36.71 2 4 1 47 281.383 4 ↓
Mid Mid (pH 6-8) 3.20 8.11 -7.79 1 4 0 43 280.375 4 ↓

Analogs

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Popular Name: (E)-3-[2-(3-methylpyrazol-1-yl)-3-quinolyl]prop-2-enoic (E)-3-[2-(3-methylpyrazol-1-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) 2.37 9.77 -58.88 0 5 -1 71 278.291 3 ↓

Analogs

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Popular Name: [2-(3-isopropylpyrazol-1-yl)-4-quinolyl]methanol [2-(3-isopropylpyrazol-1-yl)-4-q…

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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) 3.28 6.44 -12.67 1 4 0 51 267.332 3 ↓

Analogs

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Popular Name: 4-(chloromethyl)-2-(3-isopropylpyrazol-1-yl)quinoline 4-(chloromethyl)-2-(3-isopropylp…

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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 10.17 -8.9 0 3 0 31 285.778 3 ↓

Analogs

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Popular Name: [2-(3-methylpyrazol-1-yl)-4-quinolyl]methanamine [2-(3-methylpyrazol-1-yl)-4-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) 2.07 5.67 -54.8 3 4 1 58 239.302 2 ↓
Mid Mid (pH 6-8) 2.07 5.25 -10.01 2 4 0 57 238.294 2 ↓

Analogs

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Popular Name: [2-(3-isopropylpyrazol-1-yl)-4-quinolyl]methanamine [2-(3-isopropylpyrazol-1-yl)-4-q…

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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) 3.12 6.93 -54.21 3 4 1 58 267.356 3 ↓
Mid Mid (pH 6-8) 3.12 6.5 -8.39 2 4 0 57 266.348 3 ↓

Analogs

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Popular Name: 2-(4-bromopyrazol-1-yl)quinoline-4-carbonitrile 2-(4-bromopyrazol-1-yl)quinoline…

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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) 3.15 8.08 -6.28 0 4 0 55 299.131 1 ↓

Analogs

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Popular Name: 1-(6-amino-2-quinolyl)-N-methyl-pyrazole-3-carboxamide 1-(6-amino-2-quinolyl)-N-methyl-…

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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) 0.92 3.31 -11.52 3 6 0 86 267.292 2 ↓

Analogs

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Popular Name: 1-(6-amino-2-quinolyl)-N,N-dimethyl-pyrazole-3-carboxamide 1-(6-amino-2-quinolyl)-N,N-dimet…

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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) 1.16 5.53 -12.1 2 6 0 77 281.319 2 ↓

Analogs

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Popular Name: 1-[4-(aminomethyl)-2-quinolyl]pyrazole-3-carboxamide 1-[4-(aminomethyl)-2-quinolyl]py…

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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 1.86 -62.43 5 6 1 101 268.3 3 ↓
Mid Mid (pH 6-8) 0.90 1.42 -10.35 4 6 0 100 267.292 3 ↓

Analogs

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Popular Name: 1-[3-(aminomethyl)-2-quinolyl]pyrazole-3-carboxamide 1-[3-(aminomethyl)-2-quinolyl]py…

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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 2.53 -52.21 5 6 1 101 268.3 3 ↓
Mid Mid (pH 6-8) 0.60 2.13 -10.64 4 6 0 100 267.292 3 ↓

Analogs

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Popular Name: 1-[4-(aminomethyl)-2-quinolyl]-N-methyl-pyrazole-3-carboxamide 1-[4-(aminomethyl)-2-quinolyl]-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) 1.28 3.35 -62.67 4 6 1 87 282.327 3 ↓
Mid Mid (pH 6-8) 1.28 2.91 -10.56 3 6 0 86 281.319 3 ↓

Analogs

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Popular Name: 2-(3-carbamoylpyrazol-1-yl)quinoline-4-carboxylic 2-(3-carbamoylpyrazol-1-yl)quino…

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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) 1.29 4.4 -48.32 2 7 -1 114 281.251 3 ↓

Analogs

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Popular Name: 2-(3-carbamoylpyrazol-1-yl)quinoline-5-carboxylic 2-(3-carbamoylpyrazol-1-yl)quino…

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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) 1.32 4.37 -46.66 2 7 -1 114 281.251 3 ↓

Analogs

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Popular Name: 1-(4-cyano-2-quinolyl)pyrazole-3-carboxamide 1-(4-cyano-2-quinolyl)pyrazole-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) 1.48 4.26 -9.95 2 6 0 98 263.26 2 ↓

Analogs

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Popular Name: 1-(3-cyano-2-quinolyl)pyrazole-3-carboxamide 1-(3-cyano-2-quinolyl)pyrazole-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) 1.17 4.29 -12.94 2 6 0 98 263.26 2 ↓

Analogs

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Popular Name: 1-(4-cyano-2-quinolyl)-N-methyl-pyrazole-3-carboxamide 1-(4-cyano-2-quinolyl)-N-methyl-…

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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) 1.85 5.75 -10.07 1 6 0 84 277.287 2 ↓

Analogs

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Popular Name: 1-(3-cyano-2-quinolyl)-N-methyl-pyrazole-3-carboxamide 1-(3-cyano-2-quinolyl)-N-methyl-…

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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) 1.55 5.78 -13.37 1 6 0 84 277.287 2 ↓

Analogs

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Popular Name: 1-(4-carbamothioyl-2-quinolyl)pyrazole-3-carboxamide 1-(4-carbamothioyl-2-quinolyl)py…

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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) 1.52 3.1 -16.49 4 6 0 100 297.343 3 ↓

Analogs

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Popular Name: 1-(3-carbamothioyl-2-quinolyl)pyrazole-3-carboxamide 1-(3-carbamothioyl-2-quinolyl)py…

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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) 1.22 3.08 -23.28 4 6 0 100 297.343 3 ↓

Analogs

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Popular Name: 1-(3-formyl-2-quinolyl)pyrazole-3-carboxamide 1-(3-formyl-2-quinolyl)pyrazole-…

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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) 1.21 3.86 -10.89 2 6 0 91 266.26 3 ↓

Analogs

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Popular Name: 1-(3-formyl-2-quinolyl)-N-methyl-pyrazole-3-carboxamide 1-(3-formyl-2-quinolyl)-N-methyl…

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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 5.31 -11 1 6 0 77 280.287 3 ↓

Analogs

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Popular Name: 2-(3-carbamoylpyrazol-1-yl)quinoline-3-carboxylic 2-(3-carbamoylpyrazol-1-yl)quino…

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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) 0.99 4.65 -53.84 2 7 -1 114 281.251 3 ↓

Analogs

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Popular Name: 1-[3-(hydroxymethyl)-2-quinolyl]pyrazole-3-carboxamide 1-[3-(hydroxymethyl)-2-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) 0.75 1.57 -11.29 3 6 0 94 268.276 3 ↓

Analogs

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Popular Name: 1-[3-(hydroxymethyl)-2-quinolyl]-N-methyl-pyrazole-3-carboxamide 1-[3-(hydroxymethyl)-2-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) 1.13 3.07 -11.5 2 6 0 80 282.303 3 ↓

Analogs

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Popular Name: 1-[3-(methylaminomethyl)-2-quinolyl]pyrazole-3-carboxamide 1-[3-(methylaminomethyl)-2-quino…

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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 4.53 -47.04 4 6 1 90 282.327 4 ↓
Mid Mid (pH 6-8) 0.98 3.34 -11.47 3 6 0 86 281.319 4 ↓

Analogs

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Popular Name: 1-[3-(2-aminoethyl)-2-quinolyl]pyrazole-3-carboxamide 1-[3-(2-aminoethyl)-2-quinolyl]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) 0.40 3.31 -56.19 5 6 1 101 282.327 4 ↓

Analogs

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Popular Name: 1-[4-(aminomethyl)-2-quinolyl]pyrazole-4-carboxamide 1-[4-(aminomethyl)-2-quinolyl]py…

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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) 0.59 1.83 -63.8 5 6 1 101 268.3 3 ↓
Mid Mid (pH 6-8) 0.59 1.42 -14.94 4 6 0 100 267.292 3 ↓

Analogs

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Popular Name: 2-(4-carbamoylpyrazol-1-yl)quinoline-4-carboxylic 2-(4-carbamoylpyrazol-1-yl)quino…

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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 4.39 -54.01 2 7 -1 114 281.251 3 ↓

Analogs

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Popular Name: 2-(4-carbamoylpyrazol-1-yl)quinoline-5-carboxylic 2-(4-carbamoylpyrazol-1-yl)quino…

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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) 1.00 4.34 -51.95 2 7 -1 114 281.251 3 ↓

Analogs

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Popular Name: 1-(4-cyano-2-quinolyl)pyrazole-4-carboxamide 1-(4-cyano-2-quinolyl)pyrazole-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) 1.16 4.23 -12.71 2 6 0 98 263.26 2 ↓

Analogs

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Popular Name: 1-(3-cyano-2-quinolyl)pyrazole-4-carboxamide 1-(3-cyano-2-quinolyl)pyrazole-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) 0.86 4.29 -16 2 6 0 98 263.26 2 ↓

Analogs

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Popular Name: 1-(4-carbamothioyl-2-quinolyl)pyrazole-4-carboxamide 1-(4-carbamothioyl-2-quinolyl)py…

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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) 1.21 3.09 -19.61 4 6 0 100 297.343 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-carbamothioyl-2-quinolyl)pyrazole-4-carboxamide 1-(3-carbamothioyl-2-quinolyl)py…

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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 3.15 -23.82 4 6 0 100 297.343 3 ↓

Analogs

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Popular Name: 1-(3-formyl-2-quinolyl)pyrazole-4-carboxamide 1-(3-formyl-2-quinolyl)pyrazole-…

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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 3.83 -14.84 2 6 0 91 266.26 3 ↓

Parameters Provided:

ring.id = 28549
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 = 28549 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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