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Analogs

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Popular Name: (3S)-3-(4-methylthiazol-2-yl)-1,1-dioxo-thiolan-3-amine (3S)-3-(4-methylthiazol-2-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 -1.63 -11.26 2 4 0 73 232.33 1 ↓
Lo Low (pH 4.5-6) -0.21 -1.05 -39.36 3 4 1 74 233.338 1 ↓
Lo Low (pH 4.5-6) -0.21 -1.38 -57.07 3 4 1 75 233.338 1 ↓

Analogs

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Popular Name: (3R)-3-(4-methylthiazol-2-yl)-1,1-dioxo-thiolan-3-amine (3R)-3-(4-methylthiazol-2-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 -1.57 -12.07 2 4 0 73 232.33 1 ↓
Lo Low (pH 4.5-6) -0.21 -1.36 -53.17 3 4 1 75 233.338 1 ↓
Lo Low (pH 4.5-6) -0.21 -1.01 -39.97 3 4 1 74 233.338 1 ↓

Analogs

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Popular Name: (3S)-1,1-dioxo-3-thiazol-2-yl-thiolan-3-amine (3S)-1,1-dioxo-3-thiazol-2-yl-th…

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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) -0.43 -2.04 -13.7 2 4 0 73 218.303 1 ↓
Lo Low (pH 4.5-6) -0.43 -1.79 -64.39 3 4 1 75 219.311 1 ↓

Analogs

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Popular Name: (3R)-1,1-dioxo-3-thiazol-2-yl-thiolan-3-amine (3R)-1,1-dioxo-3-thiazol-2-yl-th…

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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) -0.43 -2 -13.44 2 4 0 73 218.303 1 ↓
Lo Low (pH 4.5-6) -0.43 -1.82 -59.59 3 4 1 75 219.311 1 ↓

Analogs

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Popular Name: (3S)-3-(4,5-dimethylthiazol-2-yl)-1,1-dioxo-thiolan-3-amine (3S)-3-(4,5-dimethylthiazol-2-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) 0.01 -0.69 -13.94 2 4 0 73 246.357 1 ↓
Lo Low (pH 4.5-6) 0.01 -0.44 -64.01 3 4 1 75 247.365 1 ↓
Lo Low (pH 4.5-6) 0.01 -0.3 -37.8 3 4 1 74 247.365 1 ↓

Analogs

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Popular Name: (3R)-3-(4,5-dimethylthiazol-2-yl)-1,1-dioxo-thiolan-3-amine (3R)-3-(4,5-dimethylthiazol-2-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) 0.01 -0.66 -13.74 2 4 0 73 246.357 1 ↓
Lo Low (pH 4.5-6) 0.01 -0.47 -59.08 3 4 1 75 247.365 1 ↓
Lo Low (pH 4.5-6) 0.01 -0.26 -38.23 3 4 1 74 247.365 1 ↓

Analogs

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Popular Name: (3S)-3-(4-isopropylthiazol-2-yl)-1,1-dioxo-thiolan-3-amine (3S)-3-(4-isopropylthiazol-2-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) 0.85 -0.36 -10.89 2 4 0 73 260.384 2 ↓
Lo Low (pH 4.5-6) 0.85 -0.11 -56.97 3 4 1 75 261.392 2 ↓
Lo Low (pH 4.5-6) 0.85 0.22 -38.64 3 4 1 74 261.392 2 ↓

Analogs

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Popular Name: (3R)-3-(4-isopropylthiazol-2-yl)-1,1-dioxo-thiolan-3-amine (3R)-3-(4-isopropylthiazol-2-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) 0.85 -0.29 -11.66 2 4 0 73 260.384 2 ↓
Lo Low (pH 4.5-6) 0.85 -0.09 -53.14 3 4 1 75 261.392 2 ↓
Lo Low (pH 4.5-6) 0.85 0.26 -39.38 3 4 1 74 261.392 2 ↓

Analogs

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Popular Name: (3S)-3-(4-tert-butylthiazol-2-yl)-1,1-dioxo-thiolan-3-amine (3S)-3-(4-tert-butylthiazol-2-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) 1.52 0.2 -10.63 2 4 0 73 274.411 2 ↓
Lo Low (pH 4.5-6) 1.52 0.45 -57.21 3 4 1 75 275.419 2 ↓
Lo Low (pH 4.5-6) 1.52 0.78 -38.15 3 4 1 74 275.419 2 ↓

Analogs

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Popular Name: (3R)-3-(4-tert-butylthiazol-2-yl)-1,1-dioxo-thiolan-3-amine (3R)-3-(4-tert-butylthiazol-2-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) 1.52 0.26 -11.42 2 4 0 73 274.411 2 ↓
Lo Low (pH 4.5-6) 1.52 0.47 -53.45 3 4 1 75 275.419 2 ↓
Lo Low (pH 4.5-6) 1.52 0.81 -38.91 3 4 1 74 275.419 2 ↓

Analogs

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Popular Name: (3S)-3-(4-ethyl-5-methyl-thiazol-2-yl)-1,1-dioxo-thiolan-3-amine (3S)-3-(4-ethyl-5-methyl-thiazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.59 -0.15 -11.37 2 4 0 73 260.384 2 ↓
Lo Low (pH 4.5-6) 0.59 0.44 -37.37 3 4 1 74 261.392 2 ↓
Lo Low (pH 4.5-6) 0.59 0.1 -56.66 3 4 1 75 261.392 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4-ethyl-5-methyl-thiazol-2-yl)-1,1-dioxo-thiolan-3-amine (3R)-3-(4-ethyl-5-methyl-thiazol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.59 -0.09 -12.14 2 4 0 73 260.384 2 ↓
Lo Low (pH 4.5-6) 0.59 0.47 -37.82 3 4 1 74 261.392 2 ↓
Lo Low (pH 4.5-6) 0.59 0.12 -52.65 3 4 1 75 261.392 2 ↓

Analogs

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Popular Name: (3R)-N-methyl-1,1-dioxo-3-thiazol-2-yl-thiolan-3-amine (3R)-N-methyl-1,1-dioxo-3-thiazo…

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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) -0.06 -1.72 -11.43 1 4 0 59 232.33 2 ↓
Mid Mid (pH 6-8) -0.06 -0.48 -49.32 2 4 1 64 233.338 2 ↓

Analogs

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Popular Name: (3S)-N-methyl-1,1-dioxo-3-thiazol-2-yl-thiolan-3-amine (3S)-N-methyl-1,1-dioxo-3-thiazo…

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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) -0.06 -1.42 -13.43 1 4 0 59 232.33 2 ↓
Mid Mid (pH 6-8) -0.06 -0.22 -57.41 2 4 1 64 233.338 2 ↓

Analogs

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Popular Name: (3S)-N-methyl-3-(4-methylthiazol-2-yl)-1,1-dioxo-thiolan-3-amine (3S)-N-methyl-3-(4-methylthiazol…

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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 -1.07 -12.96 1 4 0 59 246.357 2 ↓
Mid Mid (pH 6-8) 0.17 0.17 -51.87 2 4 1 64 247.365 2 ↓

Analogs

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Popular Name: (3R)-N-methyl-3-(4-methylthiazol-2-yl)-1,1-dioxo-thiolan-3-amine (3R)-N-methyl-3-(4-methylthiazol…

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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 -0.51 -10.71 1 4 0 59 246.357 2 ↓
Mid Mid (pH 6-8) 0.17 0.74 -44.35 2 4 1 64 247.365 2 ↓

Analogs

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Popular Name: (3S)-3-(4,5-dimethylthiazol-2-yl)-N-methyl-1,1-dioxo-thiolan-3-amine (3S)-3-(4,5-dimethylthiazol-2-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) 0.39 -0.09 -13.81 1 4 0 59 260.384 2 ↓
Mid Mid (pH 6-8) 0.39 1.12 -56.98 2 4 1 64 261.392 2 ↓
Lo Low (pH 4.5-6) 0.39 1.76 -117.25 3 4 2 65 262.4 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4,5-dimethylthiazol-2-yl)-N-methyl-1,1-dioxo-thiolan-3-amine (3R)-3-(4,5-dimethylthiazol-2-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) 0.39 -0.26 -11.95 1 4 0 59 260.384 2 ↓
Mid Mid (pH 6-8) 0.39 0.91 -49.19 2 4 1 64 261.392 2 ↓
Lo Low (pH 4.5-6) 0.39 1.78 -112.49 3 4 2 65 262.4 2 ↓

Analogs

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Popular Name: (3S)-3-(4-ethyl-5-methyl-thiazol-2-yl)-N-methyl-1,1-dioxo-thiolan-3-amine (3S)-3-(4-ethyl-5-methyl-thiazol…

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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 0.4 -13.14 1 4 0 59 274.411 3 ↓
Mid Mid (pH 6-8) 0.96 1.64 -51.5 2 4 1 64 275.419 3 ↓
Lo Low (pH 4.5-6) 0.96 2.52 -117.54 3 4 2 65 276.427 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4-ethyl-5-methyl-thiazol-2-yl)-N-methyl-1,1-dioxo-thiolan-3-amine (3R)-3-(4-ethyl-5-methyl-thiazol…

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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 0.97 -10.73 1 4 0 59 274.411 3 ↓
Mid Mid (pH 6-8) 0.96 2.21 -43.84 2 4 1 64 275.419 3 ↓
Lo Low (pH 4.5-6) 0.96 2.53 -113.03 3 4 2 65 276.427 3 ↓

Analogs

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Popular Name: (3S)-3-(4-isopropylthiazol-2-yl)-N-methyl-1,1-dioxo-thiolan-3-amine (3S)-3-(4-isopropylthiazol-2-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) 1.22 0.2 -12.62 1 4 0 59 274.411 3 ↓
Mid Mid (pH 6-8) 1.22 1.44 -51.73 2 4 1 64 275.419 3 ↓

Analogs

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Popular Name: (3R)-3-(4-isopropylthiazol-2-yl)-N-methyl-1,1-dioxo-thiolan-3-amine (3R)-3-(4-isopropylthiazol-2-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) 1.22 0.76 -10.31 1 4 0 59 274.411 3 ↓
Mid Mid (pH 6-8) 1.22 2.01 -44.34 2 4 1 64 275.419 3 ↓

Analogs

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Popular Name: (3S)-3-(4-tert-butylthiazol-2-yl)-N-methyl-1,1-dioxo-thiolan-3-amine (3S)-3-(4-tert-butylthiazol-2-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) 1.89 0.76 -12.29 1 4 0 59 288.438 3 ↓
Mid Mid (pH 6-8) 1.89 2 -52.01 2 4 1 64 289.446 3 ↓

Analogs

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Popular Name: (3R)-3-(4-tert-butylthiazol-2-yl)-N-methyl-1,1-dioxo-thiolan-3-amine (3R)-3-(4-tert-butylthiazol-2-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) 1.89 1.32 -10.03 1 4 0 59 288.438 3 ↓
Mid Mid (pH 6-8) 1.89 2.56 -44.66 2 4 1 64 289.446 3 ↓

Analogs

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Popular Name: (3R)-N-ethyl-1,1-dioxo-3-thiazol-2-yl-thiolan-3-amine (3R)-N-ethyl-1,1-dioxo-3-thiazol…

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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) 0.32 -0.83 -11.18 1 4 0 59 246.357 3 ↓
Mid Mid (pH 6-8) 0.32 0.33 -46.29 2 4 1 64 247.365 3 ↓

Analogs

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Popular Name: (3S)-N-ethyl-1,1-dioxo-3-thiazol-2-yl-thiolan-3-amine (3S)-N-ethyl-1,1-dioxo-3-thiazol…

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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) 0.32 -0.56 -12.92 1 4 0 59 246.357 3 ↓
Mid Mid (pH 6-8) 0.32 0.57 -54.07 2 4 1 64 247.365 3 ↓

Analogs

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Popular Name: (3R)-N-ethyl-3-(4-methylthiazol-2-yl)-1,1-dioxo-thiolan-3-amine (3R)-N-ethyl-3-(4-methylthiazol-…

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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) 0.54 -0.14 -11.16 1 4 0 59 260.384 3 ↓
Mid Mid (pH 6-8) 0.54 1.01 -42.48 2 4 1 64 261.392 3 ↓

Analogs

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Popular Name: (3S)-N-ethyl-3-(4-methylthiazol-2-yl)-1,1-dioxo-thiolan-3-amine (3S)-N-ethyl-3-(4-methylthiazol-…

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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) 0.54 -0.21 -11.04 1 4 0 59 260.384 3 ↓
Mid Mid (pH 6-8) 0.54 0.97 -49.23 2 4 1 64 261.392 3 ↓

Analogs

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Popular Name: (3R)-3-(4,5-dimethylthiazol-2-yl)-N-ethyl-1,1-dioxo-thiolan-3-amine (3R)-3-(4,5-dimethylthiazol-2-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) 0.76 0.52 -11.45 1 4 0 59 274.411 3 ↓
Mid Mid (pH 6-8) 0.76 1.68 -45.75 2 4 1 64 275.419 3 ↓
Lo Low (pH 4.5-6) 0.76 2.59 -110.08 3 4 2 65 276.427 3 ↓

Analogs

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Popular Name: (3S)-3-(4,5-dimethylthiazol-2-yl)-N-ethyl-1,1-dioxo-thiolan-3-amine (3S)-3-(4,5-dimethylthiazol-2-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) 0.76 0.79 -13.33 1 4 0 59 274.411 3 ↓
Mid Mid (pH 6-8) 0.76 1.92 -53.54 2 4 1 64 275.419 3 ↓
Lo Low (pH 4.5-6) 0.76 2.6 -114.77 3 4 2 65 276.427 3 ↓

Analogs

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Popular Name: (3S)-N-ethyl-3-(4-ethyl-5-methyl-thiazol-2-yl)-1,1-dioxo-thiolan-3-amine (3S)-N-ethyl-3-(4-ethyl-5-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) 1.34 1.31 -12.99 1 4 0 59 288.438 4 ↓
Mid Mid (pH 6-8) 1.34 2.46 -48.89 2 4 1 64 289.446 4 ↓
Lo Low (pH 4.5-6) 1.34 3.34 -114.93 3 4 2 65 290.454 4 ↓

Analogs

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Popular Name: (3R)-N-ethyl-3-(4-ethyl-5-methyl-thiazol-2-yl)-1,1-dioxo-thiolan-3-amine (3R)-N-ethyl-3-(4-ethyl-5-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) 1.34 1.86 -10.54 1 4 0 59 288.438 4 ↓
Mid Mid (pH 6-8) 1.34 3.05 -41.65 2 4 1 64 289.446 4 ↓
Lo Low (pH 4.5-6) 1.34 3.35 -111.02 3 4 2 65 290.454 4 ↓

Analogs

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Popular Name: (3R)-N-ethyl-3-(4-isopropylthiazol-2-yl)-1,1-dioxo-thiolan-3-amine (3R)-N-ethyl-3-(4-isopropylthiaz…

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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 1.14 -10.82 1 4 0 59 288.438 4 ↓
Mid Mid (pH 6-8) 1.60 2.28 -42.32 2 4 1 64 289.446 4 ↓

Analogs

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Popular Name: (3S)-N-ethyl-3-(4-isopropylthiazol-2-yl)-1,1-dioxo-thiolan-3-amine (3S)-N-ethyl-3-(4-isopropylthiaz…

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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 1.06 -10.66 1 4 0 59 288.438 4 ↓
Mid Mid (pH 6-8) 1.60 2.25 -49.1 2 4 1 64 289.446 4 ↓

Analogs

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Popular Name: (3R)-3-(4-tert-butylthiazol-2-yl)-N-ethyl-1,1-dioxo-thiolan-3-amine (3R)-3-(4-tert-butylthiazol-2-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) 2.27 1.7 -10.44 1 4 0 59 302.465 4 ↓
Mid Mid (pH 6-8) 2.27 2.84 -42.57 2 4 1 64 303.473 4 ↓

Analogs

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Popular Name: (3S)-3-(4-tert-butylthiazol-2-yl)-N-ethyl-1,1-dioxo-thiolan-3-amine (3S)-3-(4-tert-butylthiazol-2-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) 2.27 1.62 -10.38 1 4 0 59 302.465 4 ↓
Mid Mid (pH 6-8) 2.27 2.8 -49.31 2 4 1 64 303.473 4 ↓

Analogs

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Popular Name: (3R)-1,1-dioxo-N-propyl-3-thiazol-2-yl-thiolan-3-amine (3R)-1,1-dioxo-N-propyl-3-thiazo…

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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 -0.06 -11.06 1 4 0 59 260.384 4 ↓
Mid Mid (pH 6-8) 0.82 1.09 -46.63 2 4 1 64 261.392 4 ↓

Analogs

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Popular Name: (3S)-1,1-dioxo-N-propyl-3-thiazol-2-yl-thiolan-3-amine (3S)-1,1-dioxo-N-propyl-3-thiazo…

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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 0.2 -12.79 1 4 0 59 260.384 4 ↓
Mid Mid (pH 6-8) 0.82 1.32 -54.65 2 4 1 64 261.392 4 ↓

Analogs

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Popular Name: (3R)-3-(4-methylthiazol-2-yl)-1,1-dioxo-N-propyl-thiolan-3-amine (3R)-3-(4-methylthiazol-2-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) 1.04 0.62 -11 1 4 0 59 274.411 4 ↓
Mid Mid (pH 6-8) 1.04 1.77 -42.81 2 4 1 64 275.419 4 ↓
Lo Low (pH 4.5-6) 1.04 2.61 -113.42 3 4 2 65 276.427 4 ↓

Analogs

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Popular Name: (3S)-3-(4-methylthiazol-2-yl)-1,1-dioxo-N-propyl-thiolan-3-amine (3S)-3-(4-methylthiazol-2-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) 1.04 0.55 -11.01 1 4 0 59 274.411 4 ↓
Mid Mid (pH 6-8) 1.04 1.74 -49.91 2 4 1 64 275.419 4 ↓
Lo Low (pH 4.5-6) 1.04 2.62 -118.01 3 4 2 65 276.427 4 ↓

Analogs

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Popular Name: (3R)-3-(4,5-dimethylthiazol-2-yl)-1,1-dioxo-N-propyl-thiolan-3-amine (3R)-3-(4,5-dimethylthiazol-2-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) 1.27 1.28 -11.31 1 4 0 59 288.438 4 ↓
Mid Mid (pH 6-8) 1.27 2.44 -46.09 2 4 1 64 289.446 4 ↓
Lo Low (pH 4.5-6) 1.27 3.35 -111.63 3 4 2 65 290.454 4 ↓

Analogs

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Popular Name: (3S)-3-(4,5-dimethylthiazol-2-yl)-1,1-dioxo-N-propyl-thiolan-3-amine (3S)-3-(4,5-dimethylthiazol-2-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) 1.27 1.55 -13.1 1 4 0 59 288.438 4 ↓
Mid Mid (pH 6-8) 1.27 2.67 -54.01 2 4 1 64 289.446 4 ↓
Lo Low (pH 4.5-6) 1.27 3.36 -116.48 3 4 2 65 290.454 4 ↓

Analogs

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Popular Name: (3R)-3-(4-ethyl-5-methyl-thiazol-2-yl)-1,1-dioxo-N-propyl-thiolan-3-amine (3R)-3-(4-ethyl-5-methyl-thiazol…

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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 2.1 -11.12 1 4 0 59 302.465 5 ↓
Mid Mid (pH 6-8) 1.84 3.24 -42.28 2 4 1 64 303.473 5 ↓
Lo Low (pH 4.5-6) 1.84 4.1 -111.88 3 4 2 65 304.481 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-ethyl-5-methyl-thiazol-2-yl)-1,1-dioxo-N-propyl-thiolan-3-amine (3S)-3-(4-ethyl-5-methyl-thiazol…

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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 2.03 -11.13 1 4 0 59 302.465 5 ↓
Mid Mid (pH 6-8) 1.84 3.21 -49.51 2 4 1 64 303.473 5 ↓
Lo Low (pH 4.5-6) 1.84 4.12 -116.76 3 4 2 65 304.481 5 ↓

Analogs

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Popular Name: (3R)-3-(4-isopropylthiazol-2-yl)-1,1-dioxo-N-propyl-thiolan-3-amine (3R)-3-(4-isopropylthiazol-2-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) 2.10 1.89 -10.74 1 4 0 59 302.465 5 ↓
Mid Mid (pH 6-8) 2.10 3.04 -42.81 2 4 1 64 303.473 5 ↓
Lo Low (pH 4.5-6) 2.10 3.87 -114.55 3 4 2 65 304.481 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-isopropylthiazol-2-yl)-1,1-dioxo-N-propyl-thiolan-3-amine (3S)-3-(4-isopropylthiazol-2-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) 2.10 1.82 -10.59 1 4 0 59 302.465 5 ↓
Mid Mid (pH 6-8) 2.10 3.01 -49.76 2 4 1 64 303.473 5 ↓
Lo Low (pH 4.5-6) 2.10 3.9 -118.86 3 4 2 65 304.481 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(4-tert-butylthiazol-2-yl)-1,1-dioxo-N-propyl-thiolan-3-amine (3R)-3-(4-tert-butylthiazol-2-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) 2.77 2.45 -10.32 1 4 0 59 316.492 5 ↓
Mid Mid (pH 6-8) 2.77 3.61 -43.01 2 4 1 64 317.5 5 ↓
Lo Low (pH 4.5-6) 2.77 4.43 -114.32 3 4 2 65 318.508 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-tert-butylthiazol-2-yl)-1,1-dioxo-N-propyl-thiolan-3-amine (3S)-3-(4-tert-butylthiazol-2-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) 2.77 2.38 -10.31 1 4 0 59 316.492 5 ↓
Mid Mid (pH 6-8) 2.77 3.57 -50.01 2 4 1 64 317.5 5 ↓
Lo Low (pH 4.5-6) 2.77 4.44 -118.58 3 4 2 65 318.508 5 ↓

Analogs

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Popular Name: (3R)-N-isopropyl-1,1-dioxo-3-thiazol-2-yl-thiolan-3-amine (3R)-N-isopropyl-1,1-dioxo-3-thi…

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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 0.35 -9.45 1 4 0 59 260.384 3 ↓
Mid Mid (pH 6-8) 0.62 1.15 -39.86 2 4 1 64 261.392 3 ↓

Analogs

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Popular Name: (3S)-N-isopropyl-1,1-dioxo-3-thiazol-2-yl-thiolan-3-amine (3S)-N-isopropyl-1,1-dioxo-3-thi…

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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 -0.13 -12.18 1 4 0 59 260.384 3 ↓
Mid Mid (pH 6-8) 0.62 0.94 -49.35 2 4 1 64 261.392 3 ↓

Parameters Provided:

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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 = 321292 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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