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Popular Name: (3R)-3-[5-(chloromethyl)tetrazol-1-yl]thiolane (3R)-3-[5-(chloromethyl)tetrazol…

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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 0.56 -18.43 0 6 0 78 236.684 2 ↓

Analogs

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Popular Name: (3S)-3-[5-(chloromethyl)tetrazol-1-yl]thiolane (3S)-3-[5-(chloromethyl)tetrazol…

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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 0.58 -21.34 0 6 0 78 236.684 2 ↓

Analogs

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Popular Name: (3S)-3-[5-(chloromethyl)tetrazol-1-yl]-3-methyl-thiolane (3S)-3-[5-(chloromethyl)tetrazol…

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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 0.45 -19.66 0 6 0 78 250.711 2 ↓

Analogs

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Popular Name: (3R)-3-[5-(chloromethyl)tetrazol-1-yl]-3-methyl-thiolane (3R)-3-[5-(chloromethyl)tetrazol…

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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 0.52 -20.02 0 6 0 78 250.711 2 ↓

Analogs

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Popular Name: N-[[1-[(3R)-1,1-dioxothiolan-3-yl]tetrazol-5-yl]methyl]-2-methyl-propan-1-amine N-[[1-[(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) -0.38 1.51 -68.72 2 7 1 94 274.37 5 ↓
Hi High (pH 8-9.5) -0.38 0.3 -16.37 1 7 0 90 273.362 5 ↓

Analogs

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Popular Name: N-[[1-[(3S)-1,1-dioxothiolan-3-yl]tetrazol-5-yl]methyl]-2-methyl-propan-1-amine N-[[1-[(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) -0.38 1.53 -71.11 2 7 1 94 274.37 5 ↓
Hi High (pH 8-9.5) -0.38 0.32 -18.85 1 7 0 90 273.362 5 ↓

Analogs

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Popular Name: N-[[1-[(3R)-1,1-dioxothiolan-3-yl]tetrazol-5-yl]methyl]-2-methoxy-ethanamine N-[[1-[(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) -1.51 -0.8 -68.9 2 8 1 104 276.342 6 ↓
Mid Mid (pH 6-8) -1.51 -2.14 -18.4 1 8 0 99 275.334 6 ↓

Analogs

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Popular Name: N-[[1-[(3S)-1,1-dioxothiolan-3-yl]tetrazol-5-yl]methyl]-2-methoxy-ethanamine N-[[1-[(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) -1.51 -0.78 -71.44 2 8 1 104 276.342 6 ↓
Mid Mid (pH 6-8) -1.51 -2.12 -21.08 1 8 0 99 275.334 6 ↓

Analogs

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Popular Name: [1-[(3R)-1,1-dioxothiolan-3-yl]tetrazol-5-yl]methanamine [1-[(3R)-1,1-dioxothiolan-3-yl]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) -1.87 -2.66 -75.23 3 7 1 105 218.262 2 ↓
Hi High (pH 8-9.5) -1.87 -3.05 -20.15 2 7 0 104 217.254 2 ↓

Analogs

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Popular Name: [1-[(3S)-1,1-dioxothiolan-3-yl]tetrazol-5-yl]methanamine [1-[(3S)-1,1-dioxothiolan-3-yl]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) -1.87 -2.65 -77.05 3 7 1 105 218.262 2 ↓
Hi High (pH 8-9.5) -1.87 -3.03 -22.07 2 7 0 104 217.254 2 ↓

Analogs

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Popular Name: 1-[1-[(3R)-1,1-dioxothiolan-3-yl]tetrazol-5-yl]-N-methyl-methanamine 1-[1-[(3R)-1,1-dioxothiolan-3-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) -1.50 -0.8 -68.14 2 7 1 94 232.289 3 ↓
Hi High (pH 8-9.5) -1.50 -2.23 -16.72 1 7 0 90 231.281 3 ↓

Analogs

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Popular Name: 1-[1-[(3S)-1,1-dioxothiolan-3-yl]tetrazol-5-yl]-N-methyl-methanamine 1-[1-[(3S)-1,1-dioxothiolan-3-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) -1.50 -0.77 -70.21 2 7 1 94 232.289 3 ↓
Hi High (pH 8-9.5) -1.50 -2.21 -19.09 1 7 0 90 231.281 3 ↓

Analogs

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Popular Name: N-[[1-[(3R)-1,1-dioxothiolan-3-yl]tetrazol-5-yl]methyl]ethanamine N-[[1-[(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) -1.12 0.06 -67.27 2 7 1 94 246.316 4 ↓
Hi High (pH 8-9.5) -1.12 -1.29 -16.53 1 7 0 90 245.308 4 ↓

Analogs

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Popular Name: N-[[1-[(3S)-1,1-dioxothiolan-3-yl]tetrazol-5-yl]methyl]ethanamine N-[[1-[(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) -1.12 0.08 -69.59 2 7 1 94 246.316 4 ↓
Hi High (pH 8-9.5) -1.12 -1.28 -19.03 1 7 0 90 245.308 4 ↓

Analogs

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Popular Name: N-[[1-[(3R)-1,1-dioxothiolan-3-yl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[(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) -0.62 0.82 -68.42 2 7 1 94 260.343 5 ↓
Hi High (pH 8-9.5) -0.62 -0.53 -16.38 1 7 0 90 259.335 5 ↓

Analogs

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Popular Name: N-[[1-[(3S)-1,1-dioxothiolan-3-yl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[(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) -0.62 0.83 -70.71 2 7 1 94 260.343 5 ↓
Hi High (pH 8-9.5) -0.62 -0.51 -18.97 1 7 0 90 259.335 5 ↓

Analogs

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Popular Name: N-[[1-[(3R)-1,1-dioxothiolan-3-yl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[(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) -0.82 0.6 -65.55 2 7 1 94 260.343 4 ↓
Hi High (pH 8-9.5) -0.82 -0.6 -16.45 1 7 0 90 259.335 4 ↓

Analogs

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Popular Name: N-[[1-[(3S)-1,1-dioxothiolan-3-yl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[(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) -0.82 0.61 -67.75 2 7 1 94 260.343 4 ↓
Hi High (pH 8-9.5) -0.82 -0.58 -18.92 1 7 0 90 259.335 4 ↓

Analogs

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Popular Name: N-[[1-[(3R)-1,1-dioxothiolan-3-yl]tetrazol-5-yl]methyl]-2-methyl-propan-2-amine N-[[1-[(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) -0.31 1.02 -62.13 2 7 1 94 274.37 4 ↓
Hi High (pH 8-9.5) -0.31 -0.2 -15.92 1 7 0 90 273.362 4 ↓

Analogs

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Popular Name: N-[[1-[(3S)-1,1-dioxothiolan-3-yl]tetrazol-5-yl]methyl]-2-methyl-propan-2-amine N-[[1-[(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) -0.31 1.04 -64.13 2 7 1 94 274.37 4 ↓
Hi High (pH 8-9.5) -0.31 -0.19 -18.38 1 7 0 90 273.362 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]tetrazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[1-[(3R)-3-methyl-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) 0.07 1.63 -71.41 2 7 1 94 288.397 5 ↓
Hi High (pH 8-9.5) 0.07 0.58 -18.5 1 7 0 90 287.389 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]tetrazol-5-yl]methyl]propan-1-amine 2-methyl-N-[[1-[(3S)-3-methyl-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) 0.07 1.6 -60.42 2 7 1 94 288.397 5 ↓
Hi High (pH 8-9.5) 0.07 0.56 -17.94 1 7 0 90 287.389 5 ↓

Analogs

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Popular Name: 2-methoxy-N-[[1-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]tetrazol-5-yl]methyl]ethanamine 2-methoxy-N-[[1-[(3S)-3-methyl-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) -1.07 -0.71 -68.31 2 8 1 104 290.369 6 ↓
Mid Mid (pH 6-8) -1.07 -2.11 -22.67 1 8 0 99 289.361 6 ↓

Analogs

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Popular Name: 2-methoxy-N-[[1-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]tetrazol-5-yl]methyl]ethanamine 2-methoxy-N-[[1-[(3R)-3-methyl-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) -1.07 -0.67 -73.26 2 8 1 104 290.369 6 ↓
Mid Mid (pH 6-8) -1.07 -2.1 -26.29 1 8 0 99 289.361 6 ↓

Analogs

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Popular Name: [1-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]tetrazol-5-yl]methanamine [1-[(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) -1.43 -2.6 -74.14 3 7 1 105 232.289 2 ↓
Hi High (pH 8-9.5) -1.43 -2.98 -20.92 2 7 0 104 231.281 2 ↓

Analogs

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Popular Name: [1-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]tetrazol-5-yl]methanamine [1-[(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) -1.43 -2.55 -78.95 3 7 1 105 232.289 2 ↓
Hi High (pH 8-9.5) -1.43 -2.94 -24.45 2 7 0 104 231.281 2 ↓

Analogs

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Popular Name: N-methyl-1-[1-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]tetrazol-5-yl]methanamine N-methyl-1-[1-[(3S)-3-methyl-1,1…

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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) -1.05 -0.69 -67.44 2 7 1 94 246.316 3 ↓
Hi High (pH 8-9.5) -1.05 -2.11 -19.88 1 7 0 90 245.308 3 ↓

Analogs

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Popular Name: N-methyl-1-[1-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]tetrazol-5-yl]methanamine N-methyl-1-[1-[(3R)-3-methyl-1,1…

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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) -1.05 -0.66 -72.04 2 7 1 94 246.316 3 ↓
Hi High (pH 8-9.5) -1.05 -2.1 -23.25 1 7 0 90 245.308 3 ↓

Analogs

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Popular Name: N-[[1-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]tetrazol-5-yl]methyl]ethanamine N-[[1-[(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) -0.68 0.18 -70.96 2 7 1 94 260.343 4 ↓
Hi High (pH 8-9.5) -0.68 -0.87 -18.53 1 7 0 90 259.335 4 ↓

Analogs

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Popular Name: N-[[1-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]tetrazol-5-yl]methyl]ethanamine N-[[1-[(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) -0.68 0.14 -60.15 2 7 1 94 260.343 4 ↓
Hi High (pH 8-9.5) -0.68 -0.89 -17.95 1 7 0 90 259.335 4 ↓

Analogs

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Popular Name: N-[[1-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[(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) -0.17 0.93 -71.92 2 7 1 94 274.37 5 ↓
Hi High (pH 8-9.5) -0.17 -0.1 -18.43 1 7 0 90 273.362 5 ↓

Analogs

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Popular Name: N-[[1-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[(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) -0.17 0.91 -60.93 2 7 1 94 274.37 5 ↓
Hi High (pH 8-9.5) -0.17 -0.13 -17.81 1 7 0 90 273.362 5 ↓

Analogs

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Popular Name: N-[[1-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[(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) -0.38 0.6 -66.32 2 7 1 94 274.37 4 ↓
Hi High (pH 8-9.5) -0.38 -0.24 -18.13 1 7 0 90 273.362 4 ↓

Analogs

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Popular Name: N-[[1-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[(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) -0.38 0.67 -56.94 2 7 1 94 274.37 4 ↓
Hi High (pH 8-9.5) -0.38 -0.32 -17.56 1 7 0 90 273.362 4 ↓

Analogs

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Popular Name: 2-methyl-N-[[1-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]tetrazol-5-yl]methyl]propan-2-amine 2-methyl-N-[[1-[(3S)-3-methyl-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) 0.13 0.99 -60.56 2 7 1 94 288.397 4 ↓
Hi High (pH 8-9.5) 0.13 -0.18 -19.24 1 7 0 90 287.389 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[1-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]tetrazol-5-yl]methyl]propan-2-amine 2-methyl-N-[[1-[(3R)-3-methyl-1,…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.13 1.02 -63.91 2 7 1 94 288.397 4 ↓
Hi High (pH 8-9.5) 0.13 -0.16 -22.43 1 7 0 90 287.389 4 ↓

Parameters Provided:

ring.id = 151595
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 = 151595 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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