UCSF
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Analogs

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Popular Name: 2-(8-quinolyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide 2-(8-quinolyl)-N-([1,2,4]triazol…

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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) 2.20 9.6 -18.28 1 6 0 75 303.325 2 ↓
Hi High (pH 8-9.5) 2.21 9.14 -66.88 0 6 -1 79 302.317 3 ↓
Lo Low (pH 4.5-6) 2.20 9.96 -34.25 2 6 1 77 304.333 2 ↓

Analogs

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Popular Name: (3S)-6-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)chromane-3-carboxamide (3S)-6-ethoxy-N-([1,2,4]triazolo…

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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) 2.90 9.13 -13.53 1 7 0 81 338.367 3 ↓
Hi High (pH 8-9.5) 2.90 8.56 -57.93 0 7 -1 84 337.359 4 ↓

Analogs

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Popular Name: (3R)-6-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)chromane-3-carboxamide (3R)-6-ethoxy-N-([1,2,4]triazolo…

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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) 2.90 9.14 -13.54 1 7 0 81 338.367 3 ↓
Hi High (pH 8-9.5) 2.90 8.57 -57.95 0 7 -1 84 337.359 4 ↓

Analogs

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Popular Name: 3-(3-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)isoxazole-5-carboxamide 3-(3-chlorophenyl)-N-([1,2,4]tri…

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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 9.48 -14.87 1 7 0 89 339.742 2 ↓
Mid Mid (pH 6-8) 3.10 8.63 -55.69 0 7 -1 92 338.734 3 ↓

Analogs

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Popular Name: 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide 2-(2-oxo-4,5-dihydro-3H-1-benzaz…

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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 10.44 -18.34 1 7 0 83 335.367 2 ↓
Mid Mid (pH 6-8) 1.61 10.29 -66.2 0 7 -1 86 334.359 3 ↓

Analogs

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Popular Name: N-[3-oxo-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)propyl]-2H-indazole-3-carboxamide N-[3-oxo-3-([1,2,4]triazolo[4,3-…

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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) 1.46 6.21 -21.55 3 9 0 120 349.354 4 ↓
Hi High (pH 8-9.5) 1.47 5.76 -63.82 2 9 -1 123 348.346 5 ↓

Analogs

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Popular Name: (4S)-3-[(Z)-2-methylpent-2-enoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)thiazolidine-4-carboxamide (4S)-3-[(Z)-2-methylpent-2-enoyl…

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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) 2.10 10.25 -17.85 1 7 0 83 345.428 3 ↓
Mid Mid (pH 6-8) 2.11 8.6 -62.88 0 7 -1 86 344.42 4 ↓

Analogs

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Popular Name: (4R)-3-[(Z)-2-methylpent-2-enoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)thiazolidine-4-carboxamide (4R)-3-[(Z)-2-methylpent-2-enoyl…

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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) 2.10 10.64 -21.08 1 7 0 83 345.428 3 ↓
Mid Mid (pH 6-8) 2.11 8.61 -71.13 0 7 -1 86 344.42 4 ↓

Analogs

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Popular Name: 6-methyl-1-[(1R)-1-methylpropyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazolo[3,4-b]pyridine-4-car 6-methyl-1-[(1R)-1-methylpropyl]…

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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) 2.62 10.42 -16.74 1 8 0 93 349.398 3 ↓
Mid Mid (pH 6-8) 2.51 10.04 -57.82 0 8 -1 96 348.39 4 ↓

Analogs

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Popular Name: 6-methyl-1-[(1S)-1-methylpropyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazolo[3,4-b]pyridine-4-car 6-methyl-1-[(1S)-1-methylpropyl]…

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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) 2.62 10.42 -16.75 1 8 0 93 349.398 3 ↓
Mid Mid (pH 6-8) 2.51 10.04 -57.86 0 8 -1 96 348.39 4 ↓

Analogs

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Popular Name: 3-fluoro-4-morpholino-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide 3-fluoro-4-morpholino-N-([1,2,4]…

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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) 2.19 9.06 -15.58 1 7 0 75 341.346 2 ↓
Mid Mid (pH 6-8) 2.08 8.27 -59.69 0 7 -1 78 340.338 3 ↓

Analogs

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Popular Name: N'-[(3-chlorophenyl)methyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N'-[(3-chlorophenyl)methyl]-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) 2.14 8.77 -14.99 2 7 0 92 357.801 5 ↓
Hi High (pH 8-9.5) 2.15 8.33 -60.6 1 7 -1 95 356.793 6 ↓

Analogs

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Popular Name: N'-(1,3-benzodioxol-5-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N'-(1,3-benzodioxol-5-yl)-N-([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) 1.68 6.81 -19.56 2 9 0 110 353.338 4 ↓
Hi High (pH 8-9.5) 1.68 6.37 -65.88 1 9 -1 113 352.33 5 ↓

Analogs

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Popular Name: N-(3-methoxyphenyl)-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-(3-methoxyphenyl)-N'-([1,2,4]t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.82 7.43 -16.27 2 8 0 101 339.355 5 ↓
Hi High (pH 8-9.5) 1.83 6.99 -61.91 1 8 -1 104 338.347 6 ↓

Analogs

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Popular Name: N'-(4-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N'-(4-chlorophenyl)-N-([1,2,4]tr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.46 8.66 -15.14 2 7 0 92 343.774 4 ↓
Hi High (pH 8-9.5) 2.47 8.22 -60.49 1 7 -1 95 342.766 5 ↓

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-[(2-chlorophenyl)methyl]-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) 2.12 8.68 -15.37 2 7 0 92 357.801 5 ↓
Hi High (pH 8-9.5) 2.13 8.24 -61.96 1 7 -1 95 356.793 6 ↓

Analogs

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Popular Name: N'-cycloheptyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N'-cycloheptyl-N-([1,2,4]triazol…

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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) 2.50 8.32 -14.57 2 7 0 92 329.404 4 ↓
Hi High (pH 8-9.5) 2.51 7.88 -61.43 1 7 -1 95 328.396 5 ↓

Analogs

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Popular Name: N'-cyclopentyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N'-cyclopentyl-N-([1,2,4]triazol…

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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) 1.49 7.42 -14.7 2 7 0 92 301.35 4 ↓
Hi High (pH 8-9.5) 1.50 6.98 -61.36 1 7 -1 95 300.342 5 ↓

Analogs

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Popular Name: N'-(3-fluorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N'-(3-fluorophenyl)-N-([1,2,4]tr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.93 8.21 -17.61 2 7 0 92 327.319 4 ↓
Hi High (pH 8-9.5) 1.93 7.77 -64.16 1 7 -1 95 326.311 5 ↓

Analogs

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Popular Name: N'-(4-fluorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N'-(4-fluorophenyl)-N-([1,2,4]tr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.95 8.21 -15.59 2 7 0 92 327.319 4 ↓
Hi High (pH 8-9.5) 1.96 7.77 -60.89 1 7 -1 95 326.311 5 ↓

Analogs

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Popular Name: 4-(azepan-1-yl)-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide 4-(azepan-1-yl)-4-oxo-N-([1,2,4]…

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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) 1.75 9.38 -14.51 1 7 0 83 315.377 3 ↓
Hi High (pH 8-9.5) 1.75 8.94 -61.94 0 7 -1 86 314.369 4 ↓

Analogs

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Popular Name: N-[(4-methoxyphenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-[(4-methoxyphenyl)methyl]-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) 1.54 7.56 -16.01 2 8 0 101 353.382 6 ↓
Hi High (pH 8-9.5) 1.55 7.13 -61.62 1 8 -1 104 352.374 7 ↓

Analogs

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Popular Name: N-(p-tolylmethyl)-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-(p-tolylmethyl)-N'-([1,2,4]tri…

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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) 1.94 8.94 -14.73 2 7 0 92 337.383 5 ↓
Hi High (pH 8-9.5) 1.94 8.5 -60.84 1 7 -1 95 336.375 6 ↓

Analogs

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Popular Name: N-(4-ethoxyphenyl)-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-(4-ethoxyphenyl)-N'-([1,2,4]tr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.22 8.36 -16.39 2 8 0 101 353.382 6 ↓
Hi High (pH 8-9.5) 2.23 7.92 -62.1 1 8 -1 104 352.374 7 ↓

Analogs

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Popular Name: N-(3-phenylpropyl)-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-(3-phenylpropyl)-N'-([1,2,4]tr…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.41 9.81 -15.81 2 7 0 92 351.41 7 ↓
Hi High (pH 8-9.5) 2.42 9.37 -61.8 1 7 -1 95 350.402 8 ↓

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-(3,4-dimethylphenyl)-N'-([1,2,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.61 9.37 -15.99 2 7 0 92 337.383 4 ↓
Hi High (pH 8-9.5) 2.62 8.93 -62.39 1 7 -1 95 336.375 5 ↓

Analogs

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Popular Name: N-isopentyl-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-isopentyl-N'-([1,2,4]triazolo[…

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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) 1.74 7.3 -14.61 2 7 0 92 303.366 6 ↓
Hi High (pH 8-9.5) 1.75 6.86 -60.89 1 7 -1 95 302.358 7 ↓

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-(3,5-dimethylphenyl)-N'-([1,2,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.61 9.48 -15.93 2 7 0 92 337.383 4 ↓
Hi High (pH 8-9.5) 2.62 9.04 -62.32 1 7 -1 95 336.375 5 ↓

Analogs

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Popular Name: 4-oxo-4-(4-propylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide 4-oxo-4-(4-propylpiperazin-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) 1.10 9.65 -47.44 2 8 1 87 345.427 5 ↓
Hi High (pH 8-9.5) 1.11 7.01 -60.66 0 8 -1 89 343.411 6 ↓
Mid Mid (pH 6-8) 1.10 7.45 -14.31 1 8 0 86 344.419 5 ↓

Analogs

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Popular Name: N-[(3-methoxyphenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-[(3-methoxyphenyl)methyl]-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) 1.52 7.56 -16.19 2 8 0 101 353.382 6 ↓
Hi High (pH 8-9.5) 1.53 7.12 -62.31 1 8 -1 104 352.374 7 ↓

Analogs

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Popular Name: N'-[(4-fluorophenyl)methyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N'-[(4-fluorophenyl)methyl]-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) 1.65 8.33 -15.26 2 7 0 92 341.346 5 ↓
Hi High (pH 8-9.5) 1.66 7.89 -60.34 1 7 -1 95 340.338 6 ↓

Analogs

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Popular Name: N-(4-isopropylphenyl)-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-(4-isopropylphenyl)-N'-([1,2,4…

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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) 3.30 10.05 -15.45 2 7 0 92 351.41 5 ↓
Hi High (pH 8-9.5) 3.31 9.62 -61.89 1 7 -1 95 350.402 6 ↓

Analogs

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Popular Name: N'-(2-cyclohexen-1-ylethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N'-(2-cyclohexen-1-ylethyl)-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) 2.47 9.26 -14.97 2 7 0 92 341.415 6 ↓
Hi High (pH 8-9.5) 2.48 8.82 -61.17 1 7 -1 95 340.407 7 ↓

Analogs

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Popular Name: N-[(5-methyl-2-furyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-[(5-methyl-2-furyl)methyl]-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) 0.97 7.21 -15.61 2 8 0 105 327.344 5 ↓
Hi High (pH 8-9.5) 0.98 6.77 -61.35 1 8 -1 108 326.336 6 ↓

Analogs

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Popular Name: N-(p-tolyl)-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-(p-tolyl)-N'-([1,2,4]triazolo[…

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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) 2.23 8.81 -15.8 2 7 0 92 323.356 4 ↓
Hi High (pH 8-9.5) 2.24 8.37 -62.15 1 7 -1 95 322.348 5 ↓

Analogs

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Popular Name: N'-[(2,4-difluorophenyl)methyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N'-[(2,4-difluorophenyl)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) 1.74 8.35 -15.86 2 7 0 92 359.336 5 ↓
Hi High (pH 8-9.5) 1.75 7.91 -61.35 1 7 -1 95 358.328 6 ↓

Analogs

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Popular Name: N'-[(3,5-difluorophenyl)methyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N'-[(3,5-difluorophenyl)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) 1.74 8.4 -14.88 2 7 0 92 359.336 5 ↓
Hi High (pH 8-9.5) 1.75 7.96 -59.86 1 7 -1 95 358.328 6 ↓

Analogs

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Popular Name: N-isobutyl-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-isobutyl-N'-([1,2,4]triazolo[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) 1.21 6.76 -14.48 2 7 0 92 289.339 5 ↓
Hi High (pH 8-9.5) 1.22 6.32 -60.77 1 7 -1 95 288.331 6 ↓

Analogs

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Popular Name: N-(m-tolyl)-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-(m-tolyl)-N'-([1,2,4]triazolo[…

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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) 2.21 8.81 -15.72 2 7 0 92 323.356 4 ↓
Hi High (pH 8-9.5) 2.22 8.37 -61.97 1 7 -1 95 322.348 5 ↓

Analogs

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Popular Name: N'-cyclohexyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N'-cyclohexyl-N-([1,2,4]triazolo…

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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) 2.00 7.94 -14.77 2 7 0 92 315.377 4 ↓
Hi High (pH 8-9.5) 2.00 7.5 -61.64 1 7 -1 95 314.369 5 ↓

Analogs

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Popular Name: N-phenyl-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-phenyl-N'-([1,2,4]triazolo[4,3…

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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) 1.79 8.13 -15.81 2 7 0 92 309.329 4 ↓
Hi High (pH 8-9.5) 1.80 7.69 -62.09 1 7 -1 95 308.321 5 ↓

Analogs

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Popular Name: N-[(2-fluorophenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-[(2-fluorophenyl)methyl]-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) 1.60 8.28 -16.2 2 7 0 92 341.346 5 ↓
Hi High (pH 8-9.5) 1.61 7.84 -62.76 1 7 -1 95 340.338 6 ↓

Analogs

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Popular Name: N-[(2-ethoxyphenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-[(2-ethoxyphenyl)methyl]-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) 1.87 8.53 -16.27 2 8 0 101 367.409 7 ↓
Hi High (pH 8-9.5) 1.88 8.09 -63.05 1 8 -1 104 366.401 8 ↓

Analogs

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Popular Name: N-[(4-dimethylaminophenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-[(4-dimethylaminophenyl)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) 1.59 8.67 -15.65 2 8 0 95 366.425 6 ↓
Hi High (pH 8-9.5) 1.60 8.25 -61.97 1 8 -1 98 365.417 7 ↓
Lo Low (pH 4.5-6) 1.59 9.44 -30.52 3 8 0 96 367.433 6 ↓

Analogs

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Popular Name: N-(o-tolylmethyl)-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-(o-tolylmethyl)-N'-([1,2,4]tri…

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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) 1.89 9.06 -14.62 2 7 0 92 337.383 5 ↓
Hi High (pH 8-9.5) 1.90 8.61 -60.64 1 7 -1 95 336.375 6 ↓

Analogs

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Popular Name: N-[(4-ethylphenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-[(4-ethylphenyl)methyl]-N'-([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) 2.40 9.71 -14.61 2 7 0 92 351.41 6 ↓
Hi High (pH 8-9.5) 2.41 9.27 -60.59 1 7 -1 95 350.402 7 ↓

Analogs

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Popular Name: N'-cyclopentyl-N-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N'-cyclopentyl-N-(5-methoxy-[1,2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.67 6.5 -16.78 2 8 0 101 331.376 5 ↓
Hi High (pH 8-9.5) 1.68 5.95 -64.8 1 8 -1 104 330.368 6 ↓

Analogs

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Popular Name: N'-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(p-tolylmethyl)butanediamide N'-(5-methoxy-[1,2,4]triazolo[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) 2.12 8.02 -16.82 2 8 0 101 367.409 6 ↓
Hi High (pH 8-9.5) 2.12 7.46 -64.13 1 8 -1 104 366.401 7 ↓

Analogs

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Popular Name: N-isopropyl-N'-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-isopropyl-N'-(5-methoxy-[1,2,4…

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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) 0.94 5.13 -16.97 2 8 0 101 305.338 5 ↓
Hi High (pH 8-9.5) 0.95 4.59 -64.98 1 8 -1 104 304.33 6 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-N'-(5-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide N-(2-methoxyethyl)-N'-(5-methoxy…

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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) 0.25 3.41 -17.65 2 9 0 110 321.337 7 ↓
Hi High (pH 8-9.5) 0.26 2.85 -65.5 1 9 -1 113 320.329 8 ↓

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