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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-propyl-1-piperidyl)methyl]thiadiazol-5-amine 4-[(4-propyl-1-piperidyl)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) 2.57 4.68 -39.75 3 4 1 56 241.384 4 ↓
Hi High (pH 8-9.5) 2.57 2.42 -7.33 2 4 0 55 240.376 4 ↓

Analogs

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Popular Name: N-methyl-4-[(4-propyl-1-piperidyl)methyl]thiadiazol-5-amine N-methyl-4-[(4-propyl-1-piperidy…

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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) 2.95 5.75 -38.83 2 4 1 42 255.411 5 ↓
Hi High (pH 8-9.5) 2.95 3.51 -7.73 1 4 0 41 254.403 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-4-[(4-propyl-1-piperidyl)methyl]thiadiazol-5-amine N-ethyl-4-[(4-propyl-1-piperidyl…

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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) 3.32 6.55 -37.74 2 4 1 42 269.438 6 ↓
Hi High (pH 8-9.5) 3.32 4.29 -6.44 1 4 0 41 268.43 6 ↓

Analogs

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Popular Name: N-propyl-4-[(4-propyl-1-piperidyl)methyl]thiadiazol-5-amine N-propyl-4-[(4-propyl-1-piperidy…

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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) 3.83 7.3 -38.11 2 4 1 42 283.465 7 ↓
Hi High (pH 8-9.5) 3.83 5.03 -6.17 1 4 0 41 282.457 7 ↓

Analogs

40444269
40444269
42338356
42338356
47628005
47628005
5184988
5184988
35164996
35164996

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-amine 1-[(5-chlorothiadiazol-4-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) 0.64 0.23 -43.87 3 4 1 57 233.748 2 ↓

Analogs

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Popular Name: 1-[(5-chlorothiadiazol-4-yl)methyl]-4-methyl-piperidine-4-carboxylic 1-[(5-chlorothiadiazol-4-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) 1.64 6.07 -57.21 1 5 0 70 275.761 3 ↓
Hi High (pH 8-9.5) 1.64 3.82 -48.14 0 5 -1 69 274.753 3 ↓

Analogs

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Popular Name: 1-[(5-chlorothiadiazol-4-yl)methyl]-4-ethyl-piperidine-4-carboxylic 1-[(5-chlorothiadiazol-4-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) 1.97 6.21 -56.27 1 5 0 70 289.788 4 ↓
Hi High (pH 8-9.5) 1.97 3.96 -48.27 0 5 -1 69 288.78 4 ↓

Analogs

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Popular Name: 1-[(5-chlorothiadiazol-4-yl)methyl]-4-propyl-piperidine-4-carboxylic 1-[(5-chlorothiadiazol-4-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) 2.53 7.3 -56.87 1 5 0 70 303.815 5 ↓
Hi High (pH 8-9.5) 2.53 5.05 -47.92 0 5 -1 69 302.807 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(5-chlorothiadiazol-4-yl)methyl]-3-methyl-piperidine-3-carboxylic (3S)-1-[(5-chlorothiadiazol-4-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) 1.64 6.26 -44.27 1 5 0 70 275.761 3 ↓
Hi High (pH 8-9.5) 1.64 4.38 -44.76 0 5 -1 69 274.753 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-3-methyl-piperidine-3-carboxylic (3R)-1-[(5-chlorothiadiazol-4-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) 1.64 5.9 -44.93 1 5 0 70 275.761 3 ↓
Hi High (pH 8-9.5) 1.64 4.06 -46.25 0 5 -1 69 274.753 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(5-chlorothiadiazol-4-yl)methyl]-3-ethyl-piperidine-3-carboxylic (3S)-1-[(5-chlorothiadiazol-4-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) 1.97 6.47 -38.92 1 5 0 70 289.788 4 ↓
Hi High (pH 8-9.5) 1.97 4.91 -49.34 0 5 -1 69 288.78 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-3-ethyl-piperidine-3-carboxylic (3R)-1-[(5-chlorothiadiazol-4-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) 1.97 6.85 -34.03 1 5 0 70 289.788 4 ↓
Hi High (pH 8-9.5) 1.97 5.19 -43.35 0 5 -1 69 288.78 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[(5-chlorothiadiazol-4-yl)methyl]-3-propyl-piperidine-3-carboxylic (3S)-1-[(5-chlorothiadiazol-4-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) 2.53 7.23 -38.8 1 5 0 70 303.815 5 ↓
Hi High (pH 8-9.5) 2.53 5.67 -49.78 0 5 -1 69 302.807 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-3-propyl-piperidine-3-carboxylic (3R)-1-[(5-chlorothiadiazol-4-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) 2.53 7.62 -33.95 1 5 0 70 303.815 5 ↓
Hi High (pH 8-9.5) 2.53 5.95 -43.77 0 5 -1 69 302.807 5 ↓

Analogs

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Popular Name: 5-chloro-4-[(4,4-diethyl-1-piperidyl)methyl]thiadiazole 5-chloro-4-[(4,4-diethyl-1-piper…

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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) 3.60 7.12 -33.95 1 3 1 30 274.841 4 ↓
Hi High (pH 8-9.5) 3.60 4.86 -2.88 0 3 0 29 273.833 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-ethyl-4-methyl-1-piperidyl)methyl]thiadiazol-5-amine 4-[(4-ethyl-4-methyl-1-piperidyl…

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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) 2.08 3.9 -39.54 3 4 1 56 241.384 3 ↓
Hi High (pH 8-9.5) 2.08 1.65 -7.81 2 4 0 55 240.376 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-ethyl-4-methyl-1-piperidyl)methyl]-N-methyl-thiadiazol-5-amine 4-[(4-ethyl-4-methyl-1-piperidyl…

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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) 2.45 5.13 -38.33 2 4 1 42 255.411 4 ↓
Hi High (pH 8-9.5) 2.45 2.87 -7.74 1 4 0 41 254.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-4-[(4-ethyl-4-methyl-1-piperidyl)methyl]thiadiazol-5-amine N-ethyl-4-[(4-ethyl-4-methyl-1-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) 2.83 5.92 -37.7 2 4 1 42 269.438 5 ↓
Hi High (pH 8-9.5) 2.83 3.65 -6.36 1 4 0 41 268.43 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-ethyl-4-methyl-1-piperidyl)methyl]-N-propyl-thiadiazol-5-amine 4-[(4-ethyl-4-methyl-1-piperidyl…

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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) 3.33 6.7 -37.66 2 4 1 42 283.465 6 ↓
Hi High (pH 8-9.5) 3.33 4.46 -6.64 1 4 0 41 282.457 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4,4-diethyl-1-piperidyl)methyl]thiadiazol-5-amine 4-[(4,4-diethyl-1-piperidyl)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) 2.41 4.53 -40.33 3 4 1 56 255.411 4 ↓
Hi High (pH 8-9.5) 2.41 2.26 -7.14 2 4 0 55 254.403 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4,4-diethyl-1-piperidyl)methyl]-N-methyl-thiadiazol-5-amine 4-[(4,4-diethyl-1-piperidyl)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) 2.78 5.55 -39.22 2 4 1 42 269.438 5 ↓
Hi High (pH 8-9.5) 2.78 3.28 -7.14 1 4 0 41 268.43 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4,4-diethyl-1-piperidyl)methyl]-N-ethyl-thiadiazol-5-amine 4-[(4,4-diethyl-1-piperidyl)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) 3.16 6.39 -38.25 2 4 1 42 283.465 6 ↓
Hi High (pH 8-9.5) 3.16 4.12 -6.34 1 4 0 41 282.457 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4,4-diethyl-1-piperidyl)methyl]-N-propyl-thiadiazol-5-amine 4-[(4,4-diethyl-1-piperidyl)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) 3.66 7.18 -38.15 2 4 1 42 297.492 7 ↓
Hi High (pH 8-9.5) 3.66 4.94 -6.61 1 4 0 41 296.484 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(4-ethyl-4-methyl-1-piperidyl)methyl]thiadiazol-5-yl]hydrazine [4-[(4-ethyl-4-methyl-1-piperidy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.84 3.84 -40.48 4 5 1 68 256.399 4 ↓
Hi High (pH 8-9.5) 1.84 1.57 -7.49 3 5 0 67 255.391 4 ↓
Lo Low (pH 4.5-6) 1.84 3.67 -119.36 5 5 2 70 257.407 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(4,4-diethyl-1-piperidyl)methyl]thiadiazol-5-yl]hydrazine [4-[(4,4-diethyl-1-piperidyl)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) 2.17 4.31 -40.39 4 5 1 68 270.426 5 ↓
Hi High (pH 8-9.5) 2.17 2.05 -7.75 3 5 0 67 269.418 5 ↓
Lo Low (pH 4.5-6) 2.17 4.14 -120.26 5 5 2 70 271.434 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,4R)-1-[(5-chlorothiadiazol-4-yl)methyl]-4-methyl-piperidin-3-amine (3R,4R)-1-[(5-chlorothiadiazol-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) 1.12 1.49 -42.04 3 4 1 57 247.775 2 ↓
Lo Low (pH 4.5-6) 1.12 3.15 -31.12 3 4 1 56 247.775 2 ↓
Lo Low (pH 4.5-6) 1.12 3.51 -115.58 4 4 2 58 248.783 2 ↓

Analogs

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Popular Name: (3R,4S)-1-[(5-chlorothiadiazol-4-yl)methyl]-4-methyl-piperidin-3-amine (3R,4S)-1-[(5-chlorothiadiazol-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) 1.12 0.57 -44.91 3 4 1 57 247.775 2 ↓
Lo Low (pH 4.5-6) 1.12 2.79 -113.84 4 4 2 58 248.783 2 ↓
Lo Low (pH 4.5-6) 1.12 2.5 -32.4 3 4 1 56 247.775 2 ↓

Analogs

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Popular Name: 2-[(2S)-1-[(5-chlorothiadiazol-4-yl)methyl]-2-piperidyl]ethanamine 2-[(2S)-1-[(5-chlorothiadiazol-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) 1.34 1.56 -49.37 3 4 1 57 261.802 4 ↓
Mid Mid (pH 6-8) 1.34 3.69 -106.93 4 4 2 58 262.81 4 ↓

Analogs

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Popular Name: 2-[(2R)-1-[(5-chlorothiadiazol-4-yl)methyl]-2-piperidyl]ethanamine 2-[(2R)-1-[(5-chlorothiadiazol-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) 1.34 1.23 -45.89 3 4 1 57 261.802 4 ↓
Mid Mid (pH 6-8) 1.34 3.37 -104.45 4 4 2 58 262.81 4 ↓

Analogs

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Popular Name: [(2R,6R)-1-[(5-chlorothiadiazol-4-yl)methyl]-6-methyl-2-piperidyl]methanamine [(2R,6R)-1-[(5-chlorothiadiazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.40 1.05 -46.6 3 4 1 57 261.802 3 ↓
Mid Mid (pH 6-8) 1.40 3.19 -110.95 4 4 2 58 262.81 3 ↓

Analogs

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Popular Name: [(2R,6S)-1-[(5-chlorothiadiazol-4-yl)methyl]-6-methyl-2-piperidyl]methanamine [(2R,6S)-1-[(5-chlorothiadiazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.40 1.58 -38.42 3 4 1 57 261.802 3 ↓
Mid Mid (pH 6-8) 1.40 3.16 -111.88 4 4 2 58 262.81 3 ↓

Analogs

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Popular Name: [(2S,6R)-1-[(5-chlorothiadiazol-4-yl)methyl]-6-methyl-2-piperidyl]methanamine [(2S,6R)-1-[(5-chlorothiadiazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.40 1.19 -49.89 3 4 1 57 261.802 3 ↓
Mid Mid (pH 6-8) 1.40 3.28 -115.02 4 4 2 58 262.81 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(2S,6S)-1-[(5-chlorothiadiazol-4-yl)methyl]-6-methyl-2-piperidyl]methanamine [(2S,6S)-1-[(5-chlorothiadiazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.40 1.54 -40.34 3 4 1 57 261.802 3 ↓
Mid Mid (pH 6-8) 1.40 3.06 -103.53 4 4 2 58 262.81 3 ↓

Analogs

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Popular Name: 2-[(3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-3-piperidyl]ethanamine 2-[(3R)-1-[(5-chlorothiadiazol-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) 1.22 3.84 -97.29 4 4 2 58 262.81 4 ↓
Hi High (pH 8-9.5) 1.22 1.58 -46.54 3 4 1 57 261.802 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3S)-1-[(5-chlorothiadiazol-4-yl)methyl]-3-piperidyl]ethanamine 2-[(3S)-1-[(5-chlorothiadiazol-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) 1.22 3.52 -96.74 4 4 2 58 262.81 4 ↓
Hi High (pH 8-9.5) 1.22 1.3 -45.7 3 4 1 57 261.802 4 ↓

Analogs

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Popular Name: (1S)-1-[(3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-3-piperidyl]ethanamine (1S)-1-[(3R)-1-[(5-chlorothiadia…

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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) 1.35 1.23 -44.42 3 4 1 57 261.802 3 ↓
Mid Mid (pH 6-8) 1.35 3.44 -109.76 4 4 2 58 262.81 3 ↓

Analogs

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Popular Name: (1R)-1-[(3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-3-piperidyl]ethanamine (1R)-1-[(3R)-1-[(5-chlorothiadia…

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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) 1.35 1.34 -46.06 3 4 1 57 261.802 3 ↓
Mid Mid (pH 6-8) 1.35 3.56 -109.96 4 4 2 58 262.81 3 ↓

Analogs

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Popular Name: (1S)-1-[(3S)-1-[(5-chlorothiadiazol-4-yl)methyl]-3-piperidyl]ethanamine (1S)-1-[(3S)-1-[(5-chlorothiadia…

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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) 1.35 1.63 -45.37 3 4 1 57 261.802 3 ↓
Mid Mid (pH 6-8) 1.35 3.87 -109.18 4 4 2 58 262.81 3 ↓

Analogs

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Popular Name: (1R)-1-[(3S)-1-[(5-chlorothiadiazol-4-yl)methyl]-3-piperidyl]ethanamine (1R)-1-[(3S)-1-[(5-chlorothiadia…

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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) 1.35 1.52 -46.81 3 4 1 57 261.802 3 ↓
Mid Mid (pH 6-8) 1.35 3.76 -111.36 4 4 2 58 262.81 3 ↓

Analogs

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Popular Name: [(2S,3R)-1-[(5-chlorothiadiazol-4-yl)methyl]-3-methyl-2-piperidyl]methanamine [(2S,3R)-1-[(5-chlorothiadiazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.31 1.77 -50.04 3 4 1 57 261.802 3 ↓
Lo Low (pH 4.5-6) 1.31 3.54 -115.81 4 4 2 58 262.81 3 ↓

Analogs

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Popular Name: [(2S,3S)-1-[(5-chlorothiadiazol-4-yl)methyl]-3-methyl-2-piperidyl]methanamine [(2S,3S)-1-[(5-chlorothiadiazol-…

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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 2.13 -43.71 3 4 1 57 261.802 3 ↓
Lo Low (pH 4.5-6) 1.31 3.93 -114.43 4 4 2 58 262.81 3 ↓

Analogs

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Popular Name: [(3R,6R)-1-[(5-chlorothiadiazol-4-yl)methyl]-6-methyl-3-piperidyl]methanamine [(3R,6R)-1-[(5-chlorothiadiazol-…

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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 0.98 -46.36 3 4 1 57 261.802 3 ↓
Mid Mid (pH 6-8) 1.28 3.09 -100.15 4 4 2 58 262.81 3 ↓

Analogs

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Popular Name: [(3R,6S)-1-[(5-chlorothiadiazol-4-yl)methyl]-6-methyl-3-piperidyl]methanamine [(3R,6S)-1-[(5-chlorothiadiazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.28 1.3 -46.31 3 4 1 57 261.802 3 ↓
Mid Mid (pH 6-8) 1.28 3.39 -100.71 4 4 2 58 262.81 3 ↓

Analogs

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Popular Name: [(3S,6R)-1-[(5-chlorothiadiazol-4-yl)methyl]-6-methyl-3-piperidyl]methanamine [(3S,6R)-1-[(5-chlorothiadiazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.28 1.51 -42.61 3 4 1 57 261.802 3 ↓
Mid Mid (pH 6-8) 1.28 3.71 -97.34 4 4 2 58 262.81 3 ↓

Analogs

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Popular Name: [(3S,6S)-1-[(5-chlorothiadiazol-4-yl)methyl]-6-methyl-3-piperidyl]methanamine [(3S,6S)-1-[(5-chlorothiadiazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.28 1.26 -42.71 3 4 1 57 261.802 3 ↓
Mid Mid (pH 6-8) 1.28 3.4 -97.29 4 4 2 58 262.81 3 ↓

Analogs

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Popular Name: 2-[1-[(5-chlorothiadiazol-4-yl)methyl]-4-piperidyl]ethanamine 2-[1-[(5-chlorothiadiazol-4-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) 1.40 3.54 -93.72 4 4 2 58 262.81 4 ↓
Hi High (pH 8-9.5) 1.40 1.33 -45.64 3 4 1 57 261.802 4 ↓

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Popular Name: tert-butyl tert-butyl

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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) 2.83 6.94 -40.41 1 6 1 60 347.892 5 ↓
Hi High (pH 8-9.5) 2.83 4.74 -7.08 0 6 0 59 346.884 5 ↓

Analogs

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Popular Name: 5-chloro-4-[(3,3-dimethyl-1-piperidyl)methyl]thiadiazole 5-chloro-4-[(3,3-dimethyl-1-pipe…

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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) 2.94 6.02 -31.84 1 3 1 30 246.787 2 ↓
Hi High (pH 8-9.5) 2.94 4.18 -3.23 0 3 0 29 245.779 2 ↓

Analogs

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Popular Name: 4-[(3,3-dimethyl-1-piperidyl)methyl]thiadiazol-5-amine 4-[(3,3-dimethyl-1-piperidyl)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) 1.74 3.6 -38.38 3 4 1 56 227.357 2 ↓
Hi High (pH 8-9.5) 1.74 1.73 -7.56 2 4 0 55 226.349 2 ↓

Analogs

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Popular Name: 4-[(3,3-dimethyl-1-piperidyl)methyl]-N-methyl-thiadiazol-5-amine 4-[(3,3-dimethyl-1-piperidyl)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) 2.12 4.83 -37.19 2 4 1 42 241.384 3 ↓
Hi High (pH 8-9.5) 2.12 2.96 -7.54 1 4 0 41 240.376 3 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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