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Analogs

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Popular Name: 2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]thiazole-5-carbaldehyde 2-[[(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) 0.64 1.96 -18.67 0 5 0 67 260.34 3 ↓

Analogs

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Popular Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]thiazole-5-carbaldehyde 2-[[(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) 0.64 1.99 -17.56 0 5 0 67 260.34 3 ↓

Analogs

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Popular Name: 1-[2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]thiazol-5-yl]ethanone 1-[2-[[(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) 0.75 2.73 -19.34 0 5 0 67 274.367 3 ↓

Analogs

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Popular Name: 1-[2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]thiazol-5-yl]ethanone 1-[2-[[(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) 0.75 2.76 -18.8 0 5 0 67 274.367 3 ↓

Analogs

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Popular Name: 1-[2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]-4-methyl-thiazol-5-yl]ethanone 1-[2-[[(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) 0.97 3.29 -18.41 0 5 0 67 288.394 3 ↓
Lo Low (pH 4.5-6) 0.97 3.63 -43.99 1 5 1 69 289.402 3 ↓

Analogs

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Popular Name: 1-[2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]-4-methyl-thiazol-5-yl]ethanone 1-[2-[[(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) 0.97 3.31 -17.38 0 5 0 67 288.394 3 ↓
Lo Low (pH 4.5-6) 0.97 3.65 -44.41 1 5 1 69 289.402 3 ↓

Analogs

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Popular Name: 5-[(1R)-1-aminoethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethyl-thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-[(3R)-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) -1.06 1.43 -55.22 3 5 1 78 290.434 3 ↓
Mid Mid (pH 6-8) -1.06 1.09 -14.4 2 5 0 76 289.426 3 ↓

Analogs

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Popular Name: 5-[(1R)-1-aminoethyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N,4-dimethyl-thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-[(3S)-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) -1.06 1.44 -54.95 3 5 1 78 290.434 3 ↓
Mid Mid (pH 6-8) -1.06 1.11 -13.59 2 5 0 76 289.426 3 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-thiazol-2-amine 5-(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 0.25 -56.6 3 5 1 78 262.38 3 ↓
Mid Mid (pH 6-8) 0.04 -0.15 -14.91 2 5 0 76 261.372 3 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-thiazol-2-amine 5-(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 0.28 -55.56 3 5 1 78 262.38 3 ↓
Mid Mid (pH 6-8) 0.04 -0.12 -14.07 2 5 0 76 261.372 3 ↓

Analogs

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Popular Name: 5-[(1S)-1-aminoethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-thiazol-2-amine 5-[(1S)-1-aminoethyl]-N-[(3R)-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) -1.28 0.93 -54.45 3 5 1 78 276.407 3 ↓
Mid Mid (pH 6-8) -1.28 0.59 -14.87 2 5 0 76 275.399 3 ↓

Analogs

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Popular Name: 5-[(1R)-1-aminoethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-thiazol-2-amine 5-[(1R)-1-aminoethyl]-N-[(3R)-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) -1.28 0.94 -54.91 3 5 1 78 276.407 3 ↓
Mid Mid (pH 6-8) -1.28 0.59 -14.63 2 5 0 76 275.399 3 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethyl-5-[(1R)-1-(methylamino)ethyl]thiazol-2-amine N-[(3R)-1,1-dioxothiolan-3-yl]-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.19 3.14 -49.97 2 5 1 67 304.461 4 ↓
Hi High (pH 8-9.5) 1.19 1.86 -14.94 1 5 0 62 303.453 4 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N,4-dimethyl-5-[(1R)-1-(methylamino)ethyl]thiazol-2-amine N-[(3S)-1,1-dioxothiolan-3-yl]-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.19 3.16 -49.62 2 5 1 67 304.461 4 ↓
Hi High (pH 8-9.5) 1.19 1.88 -13.88 1 5 0 62 303.453 4 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-5-[(1S)-1-(ethylamino)ethyl]-N,4-dimethyl-thiazol-2-amine N-[(3R)-1,1-dioxothiolan-3-yl]-5…

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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) 1.57 3.98 -49.01 2 5 1 67 318.488 5 ↓
Hi High (pH 8-9.5) 1.57 2.79 -14.54 1 5 0 62 317.48 5 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-5-[(1R)-1-(ethylamino)ethyl]-N,4-dimethyl-thiazol-2-amine N-[(3R)-1,1-dioxothiolan-3-yl]-5…

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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) 1.57 3.99 -48.4 2 5 1 67 318.488 5 ↓
Hi High (pH 8-9.5) 1.57 2.8 -14.03 1 5 0 62 317.48 5 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethyl-5-[(1S)-1-(propylamino)ethyl]thiazol-2-amine N-[(3R)-1,1-dioxothiolan-3-yl]-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.07 4.74 -49.63 2 5 1 67 332.515 6 ↓
Hi High (pH 8-9.5) 2.07 3.55 -14.43 1 5 0 62 331.507 6 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethyl-5-[(1R)-1-(propylamino)ethyl]thiazol-2-amine N-[(3R)-1,1-dioxothiolan-3-yl]-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.07 4.76 -49.07 2 5 1 67 332.515 6 ↓
Hi High (pH 8-9.5) 2.07 3.54 -13.94 1 5 0 62 331.507 6 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-5-(methylaminomethyl)thiazol-2-amine N-[(3R)-1,1-dioxothiolan-3-yl]-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.41 2.14 -51.15 2 5 1 67 276.407 4 ↓
Hi High (pH 8-9.5) 0.41 0.68 -14.47 1 5 0 62 275.399 4 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-5-(methylaminomethyl)thiazol-2-amine N-[(3S)-1,1-dioxothiolan-3-yl]-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.41 2.15 -50.1 2 5 1 67 276.407 4 ↓
Hi High (pH 8-9.5) 0.41 0.71 -13.56 1 5 0 62 275.399 4 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-5-(ethylaminomethyl)-N-methyl-thiazol-2-amine N-[(3R)-1,1-dioxothiolan-3-yl]-5…

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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) 0.79 2.98 -50.29 2 5 1 67 290.434 5 ↓
Hi High (pH 8-9.5) 0.79 1.61 -14.27 1 5 0 62 289.426 5 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-5-(ethylaminomethyl)-N-methyl-thiazol-2-amine N-[(3S)-1,1-dioxothiolan-3-yl]-5…

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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) 0.79 3.01 -49.35 2 5 1 67 290.434 5 ↓
Hi High (pH 8-9.5) 0.79 1.64 -13.47 1 5 0 62 289.426 5 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-5-(propylaminomethyl)thiazol-2-amine N-[(3R)-1,1-dioxothiolan-3-yl]-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.29 3.75 -51.13 2 5 1 67 304.461 6 ↓
Hi High (pH 8-9.5) 1.29 2.39 -14.16 1 5 0 62 303.453 6 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-5-(propylaminomethyl)thiazol-2-amine N-[(3S)-1,1-dioxothiolan-3-yl]-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.29 3.76 -50.15 2 5 1 67 304.461 6 ↓
Hi High (pH 8-9.5) 1.29 2.4 -13.28 1 5 0 62 303.453 6 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-5-[(isopropylamino)methyl]-N-methyl-thiazol-2-amine N-[(3R)-1,1-dioxothiolan-3-yl]-5…

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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) 1.08 3.52 -48.75 2 5 1 67 304.461 5 ↓
Hi High (pH 8-9.5) 1.08 2.31 -14.13 1 5 0 62 303.453 5 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-5-[(isopropylamino)methyl]-N-methyl-thiazol-2-amine N-[(3S)-1,1-dioxothiolan-3-yl]-5…

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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) 1.08 3.54 -47.79 2 5 1 67 304.461 5 ↓
Hi High (pH 8-9.5) 1.08 2.34 -13.27 1 5 0 62 303.453 5 ↓

Analogs

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Popular Name: 5-[(tert-butylamino)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-thiazol-2-amine 5-[(tert-butylamino)methyl]-N-[(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.60 3.94 -46.94 2 5 1 67 318.488 5 ↓
Hi High (pH 8-9.5) 1.60 2.69 -14.01 1 5 0 62 317.48 5 ↓

Analogs

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Popular Name: 5-[(tert-butylamino)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-thiazol-2-amine 5-[(tert-butylamino)methyl]-N-[(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.60 3.97 -45.95 2 5 1 67 318.488 5 ↓
Hi High (pH 8-9.5) 1.60 2.72 -13.16 1 5 0 62 317.48 5 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-5-[(isobutylamino)methyl]-N-methyl-thiazol-2-amine N-[(3R)-1,1-dioxothiolan-3-yl]-5…

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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) 1.53 4.43 -51.11 2 5 1 67 318.488 6 ↓
Hi High (pH 8-9.5) 1.53 3.22 -14 1 5 0 62 317.48 6 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-5-[(isobutylamino)methyl]-N-methyl-thiazol-2-amine N-[(3S)-1,1-dioxothiolan-3-yl]-5…

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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) 1.53 4.46 -50.2 2 5 1 67 318.488 6 ↓
Hi High (pH 8-9.5) 1.53 3.24 -13.14 1 5 0 62 317.48 6 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-5-[(2-methoxyethylamino)methyl]-N-methyl-thiazol-2-amine N-[(3R)-1,1-dioxothiolan-3-yl]-5…

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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) 0.40 2.12 -50.69 2 6 1 76 320.46 7 ↓
Mid Mid (pH 6-8) 0.40 0.7 -15.92 1 6 0 72 319.452 7 ↓

Analogs

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Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-5-[(2-methoxyethylamino)methyl]-N-methyl-thiazol-2-amine N-[(3S)-1,1-dioxothiolan-3-yl]-5…

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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) 0.40 2.15 -49.85 2 6 1 76 320.46 7 ↓
Mid Mid (pH 6-8) 0.40 0.72 -15.25 1 6 0 72 319.452 7 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-5-[(1S)-1-(methylamino)ethyl]thiazol-2-amine N-[(3R)-1,1-dioxothiolan-3-yl]-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.97 2.68 -49.21 2 5 1 67 290.434 4 ↓
Hi High (pH 8-9.5) 0.97 1.4 -13.9 1 5 0 62 289.426 4 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-5-[(1R)-1-(methylamino)ethyl]thiazol-2-amine N-[(3R)-1,1-dioxothiolan-3-yl]-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.97 2.69 -49.66 2 5 1 67 290.434 4 ↓
Hi High (pH 8-9.5) 0.97 1.43 -14.47 1 5 0 62 289.426 4 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-5-[(1S)-1-(ethylamino)ethyl]-N-methyl-thiazol-2-amine N-[(3R)-1,1-dioxothiolan-3-yl]-5…

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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 3.52 -48.02 2 5 1 67 304.461 5 ↓
Hi High (pH 8-9.5) 1.35 2.34 -14.42 1 5 0 62 303.453 5 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-5-[(1R)-1-(ethylamino)ethyl]-N-methyl-thiazol-2-amine N-[(3R)-1,1-dioxothiolan-3-yl]-5…

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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 3.51 -48.35 2 5 1 67 304.461 5 ↓
Hi High (pH 8-9.5) 1.35 2.31 -13.8 1 5 0 62 303.453 5 ↓

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-5-[(1S)-1-(propylamino)ethyl]thiazol-2-amine N-[(3R)-1,1-dioxothiolan-3-yl]-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.85 4.28 -48.67 2 5 1 67 318.488 6 ↓
Hi High (pH 8-9.5) 1.85 3.1 -14.31 1 5 0 62 317.48 6 ↓

Analogs

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Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-5-[(1R)-1-(propylamino)ethyl]thiazol-2-amine N-[(3R)-1,1-dioxothiolan-3-yl]-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.85 4.26 -49.04 2 5 1 67 318.488 6 ↓
Hi High (pH 8-9.5) 1.85 3.06 -13.68 1 5 0 62 317.48 6 ↓

Analogs

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Popular Name: 2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]thiazole-5-carboxylic 2-[[(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) 0.42 2.82 -58.96 0 6 -1 90 275.331 3 ↓
Mid Mid (pH 6-8) 0.42 3.21 -53.88 1 6 0 92 276.339 3 ↓

Analogs

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Popular Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]thiazole-5-carboxylic 2-[[(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) 0.42 2.84 -57.67 0 6 -1 90 275.331 3 ↓
Mid Mid (pH 6-8) 0.42 3.23 -52.86 1 6 0 92 276.339 3 ↓

Analogs

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Popular Name: (1R)-1-[2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]-4-methyl-thiazol-5-yl]ethanol (1R)-1-[2-[[(3R)-1,1-dioxothiola…

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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 0.81 -16.92 1 5 0 71 290.41 3 ↓
Mid Mid (pH 6-8) 0.64 1.17 -39.89 2 5 1 72 291.418 3 ↓

Analogs

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Popular Name: (1R)-1-[2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]-4-methyl-thiazol-5-yl]ethanol (1R)-1-[2-[[(3S)-1,1-dioxothiola…

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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 0.83 -15.97 1 5 0 71 290.41 3 ↓
Mid Mid (pH 6-8) 0.64 1.18 -40.34 2 5 1 72 291.418 3 ↓

Analogs

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Popular Name: [2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]thiazol-5-yl]methanol [2-[[(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) 0.19 -0.49 -16.88 1 5 0 71 262.356 3 ↓
Lo Low (pH 4.5-6) 0.19 -0.09 -41.45 2 5 1 72 263.364 3 ↓

Analogs

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Popular Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]thiazol-5-yl]methanol [2-[[(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) 0.19 -0.46 -16.18 1 5 0 71 262.356 3 ↓
Lo Low (pH 4.5-6) 0.19 -0.07 -41.3 2 5 1 72 263.364 3 ↓

Analogs

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Popular Name: (1S)-1-[2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]thiazol-5-yl]ethanol (1S)-1-[2-[[(3R)-1,1-dioxothiola…

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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) 0.42 0.36 -15.6 1 5 0 71 276.383 3 ↓
Lo Low (pH 4.5-6) 0.42 0.7 -41.39 2 5 1 72 277.391 3 ↓

Analogs

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Popular Name: (1R)-1-[2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]thiazol-5-yl]ethanol (1R)-1-[2-[[(3R)-1,1-dioxothiola…

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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) 0.42 0.35 -15.43 1 5 0 71 276.383 3 ↓
Lo Low (pH 4.5-6) 0.42 0.7 -41.29 2 5 1 72 277.391 3 ↓

Analogs

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Popular Name: 2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]-4-methyl-thiazole-5-carbaldehyde 2-[[(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) 0.86 2.43 -19.2 0 5 0 67 274.367 3 ↓

Analogs

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Popular Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]-4-methyl-thiazole-5-carbaldehyde 2-[[(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) 0.86 2.45 -18.61 0 5 0 67 274.367 3 ↓

Analogs

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Popular Name: 2-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-amino]-4-ethyl-thiazole-5-carbaldehyde 2-[[(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) 1.44 3.16 -18.66 0 5 0 67 288.394 4 ↓

Analogs

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Popular Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]-4-ethyl-thiazole-5-carbaldehyde 2-[[(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) 1.44 3.18 -18.1 0 5 0 67 288.394 4 ↓

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 = 38600 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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