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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(aminomethyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N,1-dimethyl-piperidin-4-amine 4-(aminomethyl)-N-[(3R)-1,1-diox…

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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) -0.84 -0.33 -126.12 4 5 2 69 277.434 3 ↓
Hi High (pH 8-9.5) -0.84 -0.58 -48.43 3 5 1 68 276.426 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(aminomethyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N,1-dimethyl-piperidin-4-amine 4-(aminomethyl)-N-[(3S)-1,1-diox…

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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) -0.84 -0.59 -131.52 4 5 2 69 277.434 3 ↓
Hi High (pH 8-9.5) -0.84 -0.48 -49.61 3 5 1 68 276.426 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(aminomethyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-isopropyl-N-methyl-piperidin-4-amine 4-(aminomethyl)-N-[(3R)-1,1-diox…

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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) -0.17 1.15 -128.72 4 5 2 69 305.488 4 ↓
Hi High (pH 8-9.5) -0.17 0.59 -45.23 3 5 1 68 304.48 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(aminomethyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-isopropyl-N-methyl-piperidin-4-amine 4-(aminomethyl)-N-[(3S)-1,1-diox…

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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) -0.17 0.59 -132.39 4 5 2 69 305.488 4 ↓
Hi High (pH 8-9.5) -0.17 0.72 -47.22 3 5 1 68 304.48 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(aminomethyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-N-methyl-piperidin-4-amine 4-(aminomethyl)-N-[(3R)-1,1-diox…

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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) -0.47 0.62 -128.42 4 5 2 69 291.461 4 ↓
Hi High (pH 8-9.5) -0.47 0.06 -46.54 3 5 1 68 290.453 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(aminomethyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethyl-N-methyl-piperidin-4-amine 4-(aminomethyl)-N-[(3S)-1,1-diox…

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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) -0.47 0.07 -132.05 4 5 2 69 291.461 4 ↓
Hi High (pH 8-9.5) -0.47 0.19 -48.69 3 5 1 68 290.453 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(aminomethyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-1-propyl-piperidin-4-amine 4-(aminomethyl)-N-[(3R)-1,1-diox…

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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) 0.04 1.08 -128.64 4 5 2 69 305.488 5 ↓
Hi High (pH 8-9.5) 0.04 0.83 -48.17 3 5 1 68 304.48 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(aminomethyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-1-propyl-piperidin-4-amine 4-(aminomethyl)-N-[(3S)-1,1-diox…

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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) 0.04 0.81 -133.97 4 5 2 69 305.488 5 ↓
Hi High (pH 8-9.5) 0.04 0.94 -49.49 3 5 1 68 304.48 5 ↓

Analogs

36878855
36878855

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl 4-[(1,1-dioxo-1$l^{6}-thiolan-3-yl)amino]piperidine-1-carboxylate tert-butyl 4-[(1,1-dioxo-1$l^{6}…

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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) 1.07 3.09 -67.45 2 6 1 80 319.447 4 ↓
Hi High (pH 8-9.5) 1.07 2.1 -15.59 1 6 0 76 318.439 4 ↓

Analogs

36878853
36878853

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl 4-[(1,1-dioxo-1$l^{6}-thiolan-3-yl)amino]piperidine-1-carboxylate tert-butyl 4-[(1,1-dioxo-1$l^{6}…

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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) 1.07 3.19 -66.95 2 6 1 80 319.447 4 ↓
Hi High (pH 8-9.5) 1.07 2.13 -16.78 1 6 0 76 318.439 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-1-ethylsulfonyl-piperidin-4-amine N-[(3R)-1,1-dioxothiolan-3-yl]-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.21 -0.25 -69.47 2 6 1 88 311.449 4 ↓
Mid Mid (pH 6-8) -0.21 -1.25 -19.68 1 6 0 84 310.441 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-1-ethylsulfonyl-piperidin-4-amine N-[(3S)-1,1-dioxothiolan-3-yl]-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.21 -0.15 -68.23 2 6 1 88 311.449 4 ↓
Mid Mid (pH 6-8) -0.21 -1.21 -21.5 1 6 0 84 310.441 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(3R)-1,1-dioxothiolan-3-yl]amino]-1-piperidyl]-N-methyl-acetamide 2-[4-[[(3R)-1,1-dioxothiolan-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) -0.36 -0.36 -52.36 3 6 1 80 290.409 4 ↓
Hi High (pH 8-9.5) -0.36 -2.54 -17.24 2 6 0 79 289.401 4 ↓
Mid Mid (pH 6-8) -0.36 -1.55 -62.26 3 6 1 83 290.409 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-piperidyl]-N-methyl-acetamide 2-[4-[[(3S)-1,1-dioxothiolan-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) -0.36 -0.34 -54.29 3 6 1 80 290.409 4 ↓
Hi High (pH 8-9.5) -0.36 -2.51 -18.97 2 6 0 79 289.401 4 ↓
Mid Mid (pH 6-8) -0.36 -1.45 -62.15 3 6 1 83 290.409 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[(3R)-1,1-dioxothiolan-3-yl]amino]-1-piperidyl]-2-methoxy-ethanone 1-[4-[[(3R)-1,1-dioxothiolan-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) -0.66 1.41 -74.06 2 6 1 80 291.393 4 ↓
Mid Mid (pH 6-8) -0.66 0.41 -21 1 6 0 76 290.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-piperidyl]-2-methoxy-ethanone 1-[4-[[(3S)-1,1-dioxothiolan-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) -0.66 1.5 -73.27 2 6 1 80 291.393 4 ↓
Mid Mid (pH 6-8) -0.66 0.45 -21.85 1 6 0 76 290.385 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[(3R)-1,1-dioxothiolan-3-yl]amino]-1-piperidyl]-2,2-dimethyl-propan-1-one 1-[4-[[(3R)-1,1-dioxothiolan-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) 1.06 2.68 -71.27 2 5 1 71 303.448 3 ↓
Mid Mid (pH 6-8) 1.06 1.68 -17.83 1 5 0 66 302.44 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-piperidyl]-2,2-dimethyl-propan-1-one 1-[4-[[(3S)-1,1-dioxothiolan-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) 1.06 2.8 -70.48 2 5 1 71 303.448 3 ↓
Mid Mid (pH 6-8) 1.06 1.78 -18.65 1 5 0 66 302.44 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[(3R)-1,1-dioxothiolan-3-yl]amino]-1-piperidyl]-2-methyl-propan-1-one 1-[4-[[(3R)-1,1-dioxothiolan-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) 0.48 2.51 -69.7 2 5 1 71 289.421 3 ↓
Mid Mid (pH 6-8) 0.48 1.47 -17.44 1 5 0 66 288.413 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-piperidyl]-2-methyl-propan-1-one 1-[4-[[(3S)-1,1-dioxothiolan-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) 0.48 2.62 -69.98 2 5 1 71 289.421 3 ↓
Mid Mid (pH 6-8) 0.48 1.56 -18.24 1 5 0 66 288.413 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-1-propylsulfonyl-piperidin-4-amine N-[(3R)-1,1-dioxothiolan-3-yl]-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.29 0.55 -69.54 2 6 1 88 325.476 5 ↓
Mid Mid (pH 6-8) 0.29 -0.45 -19.56 1 6 0 84 324.468 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-1-propylsulfonyl-piperidin-4-amine N-[(3S)-1,1-dioxothiolan-3-yl]-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.29 0.64 -68.37 2 6 1 88 325.476 5 ↓
Mid Mid (pH 6-8) 0.29 -0.41 -21.37 1 6 0 84 324.468 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]piperidin-4-amine 1-butyl-N-[(3R)-1,1-dioxothiolan…

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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 3.45 -47.02 2 4 1 51 275.438 5 ↓
Mid Mid (pH 6-8) 1.48 4.43 -130.46 3 4 2 55 276.446 5 ↓
Mid Mid (pH 6-8) 1.48 2.21 -57.56 2 4 1 54 275.438 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-amine 1-butyl-N-[(3S)-1,1-dioxothiolan…

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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 3.48 -48.11 2 4 1 51 275.438 5 ↓
Mid Mid (pH 6-8) 1.48 4.53 -130.04 3 4 2 55 276.446 5 ↓
Mid Mid (pH 6-8) 1.48 2.3 -57.8 2 4 1 54 275.438 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-3-(aminomethyl)-1,1-dioxo-thiolan-3-yl]-N,1-dimethyl-piperidin-4-amine N-[(3S)-3-(aminomethyl)-1,1-diox…

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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) -0.84 0.07 -104.13 4 5 2 69 277.434 3 ↓
Hi High (pH 8-9.5) -0.84 -0.34 -41 3 5 1 68 276.426 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-3-(aminomethyl)-1,1-dioxo-thiolan-3-yl]-N,1-dimethyl-piperidin-4-amine N-[(3R)-3-(aminomethyl)-1,1-diox…

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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) -0.84 0.11 -104.92 4 5 2 69 277.434 3 ↓
Hi High (pH 8-9.5) -0.84 -0.52 -47.79 3 5 1 68 276.426 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-3-(aminomethyl)-1,1-dioxo-thiolan-3-yl]-1-ethyl-N-methyl-piperidin-4-amine N-[(3S)-3-(aminomethyl)-1,1-diox…

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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) -0.47 0.84 -122.41 4 5 2 69 291.461 4 ↓
Hi High (pH 8-9.5) -0.47 0.63 -42.92 3 5 1 68 290.453 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-3-(aminomethyl)-1,1-dioxo-thiolan-3-yl]-1-ethyl-N-methyl-piperidin-4-amine N-[(3R)-3-(aminomethyl)-1,1-diox…

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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) -0.47 0.51 -124.09 4 5 2 69 291.461 4 ↓
Hi High (pH 8-9.5) -0.47 -0.12 -44.12 3 5 1 68 290.453 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(3R)-1,1-dioxothiolan-3-yl]amino]-1-piperidyl]-N,N-dimethyl-acetamide 2-[4-[[(3R)-1,1-dioxothiolan-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) -1.05 2.58 -131.52 3 6 2 75 305.444 4 ↓
Hi High (pH 8-9.5) -1.05 -0.62 -17.38 1 6 0 70 303.428 4 ↓
Mid Mid (pH 6-8) -1.05 0.39 -61.88 2 6 1 74 304.436 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-piperidyl]-N,N-dimethyl-acetamide 2-[4-[[(3S)-1,1-dioxothiolan-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) -1.05 2.64 -132.92 3 6 2 75 305.444 4 ↓
Hi High (pH 8-9.5) -1.05 -0.61 -19.1 1 6 0 70 303.428 4 ↓
Mid Mid (pH 6-8) -1.05 0.45 -62.22 2 6 1 74 304.436 4 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-1-prop-2-ynyl-piperidin-4-amine N-[(3R)-1,1-dioxothiolan-3-yl]-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.20 1.22 -59.69 2 4 1 54 257.379 3 ↓
Hi High (pH 8-9.5) 0.20 0.21 -12 1 4 0 49 256.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-1-prop-2-ynyl-piperidin-4-amine N-[(3S)-1,1-dioxothiolan-3-yl]-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.20 1.27 -59.84 2 4 1 54 257.379 3 ↓
Hi High (pH 8-9.5) 0.20 0.21 -13.21 1 4 0 49 256.371 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-1-(3-methylbut-2-enyl)piperidin-4-amine N-[(3R)-1,1-dioxothiolan-3-yl]-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.71 3.92 -46.37 2 4 1 51 287.449 4 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-1-(3-methylbut-2-enyl)piperidin-4-amine N-[(3S)-1,1-dioxothiolan-3-yl]-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.71 3.95 -47.52 2 4 1 51 287.449 4 ↓

Analogs

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Popular Name: 4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidine-1-carboxamide 4-[[(3R)-1,1-dioxothiolan-3-yl]a…

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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) -0.69 -1.28 -69.98 4 6 1 97 262.355 2 ↓
Hi High (pH 8-9.5) -0.69 -2.46 -20.21 3 6 0 93 261.347 2 ↓

Analogs

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Popular Name: 4-[[(3S)-1,1-dioxothiolan-3-yl]amino]piperidine-1-carboxamide 4-[[(3S)-1,1-dioxothiolan-3-yl]a…

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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) -0.69 -1.25 -70.09 4 6 1 97 262.355 2 ↓
Hi High (pH 8-9.5) -0.69 -2.37 -19.25 3 6 0 93 261.347 2 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine N-[(3R)-1,1-dioxothiolan-3-yl]-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.96 1.25 -61.22 2 4 1 54 301.354 4 ↓
Hi High (pH 8-9.5) 0.96 0.09 -13.76 1 4 0 49 300.346 4 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine N-[(3S)-1,1-dioxothiolan-3-yl]-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.96 1.29 -61.49 2 4 1 54 301.354 4 ↓
Hi High (pH 8-9.5) 0.96 0.15 -13.09 1 4 0 49 300.346 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 0.93 2.24 -64.28 2 6 1 80 305.42 4 ↓
Hi High (pH 8-9.5) 0.93 1.35 -17.27 1 6 0 76 304.412 4 ↓

Analogs

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Popular Name: ethyl ethyl

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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) 0.93 1.99 -64.22 2 6 1 80 305.42 4 ↓
Hi High (pH 8-9.5) 0.93 1.32 -16.02 1 6 0 76 304.412 4 ↓

Analogs

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Popular Name: 1-[4-[[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]amino]-1-piperidyl]ethanone 1-[4-[[(3R)-3-methyl-1,1-dioxo-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) -0.15 1.46 -64.51 2 5 1 71 275.394 2 ↓
Mid Mid (pH 6-8) -0.15 0.58 -19.71 1 5 0 66 274.386 2 ↓

Analogs

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Popular Name: 1-[4-[[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]amino]-1-piperidyl]ethanone 1-[4-[[(3S)-3-methyl-1,1-dioxo-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) -0.15 1.23 -66.84 2 5 1 71 275.394 2 ↓
Mid Mid (pH 6-8) -0.15 0.56 -17.16 1 5 0 66 274.386 2 ↓

Analogs

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Popular Name: N,N-dimethyl-2-[4-[[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]amino]-1-piperidyl]acetamide N,N-dimethyl-2-[4-[[(3S)-3-methy…

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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) -0.61 2.61 -122.32 3 6 2 75 319.471 4 ↓
Hi High (pH 8-9.5) -0.61 -0.29 -17.24 1 6 0 70 317.455 4 ↓
Mid Mid (pH 6-8) -0.61 0.39 -55.7 2 6 1 74 318.463 4 ↓

Analogs

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Popular Name: N,N-dimethyl-2-[4-[[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]amino]-1-piperidyl]acetamide N,N-dimethyl-2-[4-[[(3R)-3-methy…

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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) -0.61 2.82 -129.38 3 6 2 75 319.471 4 ↓
Hi High (pH 8-9.5) -0.61 -0.31 -18.29 1 6 0 70 317.455 4 ↓
Mid Mid (pH 6-8) -0.61 0.63 -58.06 2 6 1 74 318.463 4 ↓

Analogs

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Popular Name: N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]-1-prop-2-ynyl-piperidin-4-amine N-[(3S)-3-methyl-1,1-dioxo-thiol…

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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 1.23 -54.3 2 4 1 54 271.406 3 ↓
Hi High (pH 8-9.5) 0.64 0.54 -12.07 1 4 0 49 270.398 3 ↓

Analogs

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Popular Name: N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]-1-prop-2-ynyl-piperidin-4-amine N-[(3R)-3-methyl-1,1-dioxo-thiol…

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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 1.42 -55.29 2 4 1 54 271.406 3 ↓
Hi High (pH 8-9.5) 0.64 0.55 -12.37 1 4 0 49 270.398 3 ↓

Analogs

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Popular Name: 1-(3-methylbut-2-enyl)-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]piperidin-4-amine 1-(3-methylbut-2-enyl)-N-[(3R)-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) 2.16 4.26 -47.2 2 4 1 51 301.476 4 ↓

Analogs

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Popular Name: 1-(3-methylbut-2-enyl)-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]piperidin-4-amine 1-(3-methylbut-2-enyl)-N-[(3S)-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) 2.16 4.22 -46.03 2 4 1 51 301.476 4 ↓

Analogs

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Popular Name: 4-[[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]amino]piperidine-1-carboxamide 4-[[(3S)-3-methyl-1,1-dioxo-thio…

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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) -0.24 -1.32 -67.42 4 6 1 97 276.382 2 ↓
Hi High (pH 8-9.5) -0.24 -1.97 -18.49 3 6 0 93 275.374 2 ↓

Analogs

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Popular Name: 4-[[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]amino]piperidine-1-carboxamide 4-[[(3R)-3-methyl-1,1-dioxo-thio…

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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) -0.24 -1.04 -65.29 4 6 1 97 276.382 2 ↓
Hi High (pH 8-9.5) -0.24 -2 -19.23 3 6 0 93 275.374 2 ↓

Parameters Provided:

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