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Analogs

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Popular Name: N-(1,1-dioxothian-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide N-(1,1-dioxothian-4-yl)-5-(3-hyd…

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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) -0.77 -0.64 -20.25 2 6 0 96 308.359 2 ↓

Analogs

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Popular Name: 5-(3-aminoprop-1-ynyl)-N-(1,1-dioxothian-4-yl)pyridine-3-carboxamide 5-(3-aminoprop-1-ynyl)-N-(1,1-di…

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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) -1.33 0.07 -62 4 6 1 104 308.383 2 ↓
Mid Mid (pH 6-8) -1.33 -0.34 -18.26 3 6 0 102 307.375 2 ↓

Analogs

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Popular Name: N1-(1,1-dioxothian-4-yl)-4-methyl-benzene-1,3-diamine N1-(1,1-dioxothian-4-yl)-4-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) 2.11 1.36 -12.46 3 4 0 72 254.355 2 ↓

Analogs

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Popular Name: N-(1,1-dioxothian-4-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide N-(1,1-dioxothian-4-yl)-5-(3-hyd…

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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) 0.63 0.29 -18 2 5 0 83 313.4 2 ↓

Analogs

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Popular Name: N-(1,1-dioxothian-4-yl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide N-(1,1-dioxothian-4-yl)-5-(4-hyd…

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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) 0.90 1.07 -16.37 2 5 0 83 327.427 3 ↓

Analogs

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Popular Name: 4-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-1,1-dioxo-thian-4-amine 4-(aminomethyl)-N-(3-methoxyprop…

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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) -0.74 -1.75 -62.58 3 5 1 74 265.399 6 ↓
Hi High (pH 8-9.5) -0.74 -2.63 -11.76 2 5 0 73 264.391 6 ↓
Lo Low (pH 4.5-6) -0.74 -0.05 -149.93 4 5 2 75 266.407 6 ↓

Analogs

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Popular Name: N-(1,1-dioxothian-4-yl)-4-(ethylamino)benzenesulfonamide N-(1,1-dioxothian-4-yl)-4-(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) 1.03 -0.42 -17.97 2 6 0 92 332.447 5 ↓

Analogs

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Popular Name: N-(1,1-dioxothian-4-yl)-6-(methylamino)pyridine-3-sulfonamide N-(1,1-dioxothian-4-yl)-6-(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) -0.08 -2.18 -18.89 2 7 0 105 319.408 4 ↓

Analogs

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Popular Name: N-(1,1-dioxothian-4-yl)-6-(ethylamino)pyridine-3-sulfonamide N-(1,1-dioxothian-4-yl)-6-(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) 0.30 -1.38 -18.42 2 7 0 105 333.435 5 ↓

Analogs

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Popular Name: N-(1,1-dioxothian-4-yl)-2-(methylamino)benzenesulfonamide N-(1,1-dioxothian-4-yl)-2-(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 -0.88 -17.65 2 6 0 92 318.42 4 ↓

Analogs

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Popular Name: N-(1,1-dioxothian-4-yl)-2-(ethylamino)benzenesulfonamide N-(1,1-dioxothian-4-yl)-2-(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) 0.98 -0.05 -17.3 2 6 0 92 332.447 5 ↓

Analogs

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Popular Name: N-(1,1-dioxothian-4-yl)-2-(methylamino)pyridine-3-sulfonamide N-(1,1-dioxothian-4-yl)-2-(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) -0.29 -1.68 -18.77 2 7 0 105 319.408 4 ↓

Analogs

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Popular Name: N-(1,1-dioxothian-4-yl)-2-(ethylamino)pyridine-3-sulfonamide N-(1,1-dioxothian-4-yl)-2-(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) 0.08 -0.8 -18.41 2 7 0 105 333.435 5 ↓

Analogs

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Popular Name: N-(1,1-dioxothian-4-yl)-2-(methylamino)pyrimidine-5-sulfonamide N-(1,1-dioxothian-4-yl)-2-(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) -0.38 -1.57 -19.6 2 8 0 118 320.396 4 ↓

Analogs

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Popular Name: N-(1,1-dioxothian-4-yl)-2-(ethylamino)pyrimidine-5-sulfonamide N-(1,1-dioxothian-4-yl)-2-(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) -0.01 -0.74 -19.13 2 8 0 118 334.423 5 ↓

Analogs

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Popular Name: N-(1,1-dioxothian-4-yl)-2-(methylamino)pyridine-4-sulfonamide N-(1,1-dioxothian-4-yl)-2-(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) -0.29 -2.14 -19.47 2 7 0 105 319.408 4 ↓

Analogs

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Popular Name: N-(1,1-dioxothian-4-yl)-2-(ethylamino)pyridine-4-sulfonamide N-(1,1-dioxothian-4-yl)-2-(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) 0.08 -1.34 -19.02 2 7 0 105 333.435 5 ↓

Analogs

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Popular Name: 5-bromo-N-(1,1-dioxothian-4-yl)-2-(methylamino)pyridine-3-sulfonamide 5-bromo-N-(1,1-dioxothian-4-yl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.66 -1.09 -17.44 2 7 0 105 398.304 4 ↓

Analogs

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Popular Name: 6-amino-N-(1,1-dioxothian-4-yl)pyridine-3-sulfonamide 6-amino-N-(1,1-dioxothian-4-yl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.45 -3.1 -19.02 3 7 0 119 305.381 3 ↓

Analogs

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Popular Name: 6-amino-N-(1,1-dioxothian-4-yl)imidazo[2,1-b]thiazole-5-sulfonamide 6-amino-N-(1,1-dioxothian-4-yl)i…

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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 -1.48 -21 3 8 0 124 350.447 3 ↓

Analogs

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Popular Name: 2-amino-N-(1,1-dioxothian-4-yl)pyridine-3-sulfonamide 2-amino-N-(1,1-dioxothian-4-yl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.67 -2.53 -18.94 3 7 0 119 305.381 3 ↓

Analogs

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Popular Name: 2-amino-N-(1,1-dioxothian-4-yl)pyrimidine-5-sulfonamide 2-amino-N-(1,1-dioxothian-4-yl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.18 -2.69 -19.59 3 8 0 132 306.369 3 ↓

Analogs

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Popular Name: 2-amino-N-(1,1-dioxothian-4-yl)pyridine-4-sulfonamide 2-amino-N-(1,1-dioxothian-4-yl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.67 -3.06 -19.38 3 7 0 119 305.381 3 ↓

Analogs

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Popular Name: 2-amino-5-bromo-N-(1,1-dioxothian-4-yl)pyridine-3-sulfonamide 2-amino-5-bromo-N-(1,1-dioxothia…

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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 -1.88 -17.65 3 7 0 119 384.277 3 ↓

Analogs

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Popular Name: (1S,2R)-2-[4-[[3-[4-(1,1-dioxothian-4-yl)oxy-2,6-dimethyl-phenyl]phenyl]methoxy]phenyl]cyclopropanec (1S,2R)-2-[4-[[3-[4-(1,1-dioxoth…

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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) 5.79 13.72 -59.66 0 6 -1 93 519.639 8 ↓
Lo Low (pH 4.5-6) 5.79 11.67 -20.19 1 6 0 90 520.647 8 ↓

Analogs

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Popular Name: (1S,2S)-2-[4-[[3-[4-(1,1-dioxothian-4-yl)oxy-2,6-dimethyl-phenyl]phenyl]methoxy]phenyl]cyclopropanec (1S,2S)-2-[4-[[3-[4-(1,1-dioxoth…

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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) 5.79 13.95 -59.41 0 6 -1 93 519.639 8 ↓
Lo Low (pH 4.5-6) 5.79 11.96 -19.43 1 6 0 90 520.647 8 ↓

Analogs

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Popular Name: (1R,2R)-2-[4-[[3-[4-(1,1-dioxothian-4-yl)oxy-2,6-dimethyl-phenyl]phenyl]methoxy]phenyl]cyclopropanec (1R,2R)-2-[4-[[3-[4-(1,1-dioxoth…

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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) 5.79 13.96 -59.31 0 6 -1 93 519.639 8 ↓
Lo Low (pH 4.5-6) 5.79 11.96 -19.45 1 6 0 90 520.647 8 ↓

Analogs

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Popular Name: (1R,2S)-2-[4-[[3-[4-(1,1-dioxothian-4-yl)oxy-2,6-dimethyl-phenyl]phenyl]methoxy]phenyl]cyclopropanec (1R,2S)-2-[4-[[3-[4-(1,1-dioxoth…

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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) 5.79 13.66 -59.98 0 6 -1 93 519.639 8 ↓
Lo Low (pH 4.5-6) 5.79 11.67 -20.41 1 6 0 90 520.647 8 ↓

Analogs

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Popular Name: N-[[(3S,6R)-6-methyl-3-piperidyl]methyl]-1,1-dioxo-thiane-4-sulfonamide N-[[(3S,6R)-6-methyl-3-piperidyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.15 -0.69 -59.6 3 6 1 97 325.476 4 ↓

Analogs

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Popular Name: N-[[(3S,6S)-6-methyl-3-piperidyl]methyl]-1,1-dioxo-thiane-4-sulfonamide N-[[(3S,6S)-6-methyl-3-piperidyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.15 -0.4 -58.89 3 6 1 97 325.476 4 ↓

Analogs

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Popular Name: N-[[(3R,6R)-6-methyl-3-piperidyl]methyl]-1,1-dioxo-thiane-4-sulfonamide N-[[(3R,6R)-6-methyl-3-piperidyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.15 -0.43 -65.08 3 6 1 97 325.476 4 ↓

Analogs

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Popular Name: N-[[(3R,6S)-6-methyl-3-piperidyl]methyl]-1,1-dioxo-thiane-4-sulfonamide N-[[(3R,6S)-6-methyl-3-piperidyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.15 -0.72 -65 3 6 1 97 325.476 4 ↓

Analogs

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Popular Name: N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]-1,1-dioxo-thian-4-amine N-[(1S)-2-(4-fluorophenyl)-1-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 5.05 -60.97 2 3 1 51 286.392 4 ↓
Hi High (pH 8-9.5) 2.19 4.04 -12.36 1 3 0 46 285.384 4 ↓

Analogs

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Popular Name: N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]-1,1-dioxo-thian-4-amine N-[(1R)-2-(4-fluorophenyl)-1-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.19 5.06 -61.01 2 3 1 51 286.392 4 ↓
Hi High (pH 8-9.5) 2.19 4.18 -13.45 1 3 0 46 285.384 4 ↓

Analogs

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Popular Name: (3S)-3-(tert-butoxycarbonylamino)-3-(1,1-dioxothian-4-yl)propanoic (3S)-3-(tert-butoxycarbonylamino…

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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) 2.61 3.16 -53.63 1 7 -1 113 320.387 6 ↓

Analogs

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Popular Name: Methyl 2-(Boc-amino)-2-(1,1-dioxo-4-tetrahydrothiopyranyl)acetate Methyl 2-(Boc-amino)-2-(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) 2.96 2.51 -17.9 1 7 0 99 321.395 6 ↓

Analogs

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Popular Name: 1-cyclopropyl-3-(1,1-dioxothian-4-yl)guanidine 1-cyclopropyl-3-(1,1-dioxothian-…

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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) -0.30 2.11 -45.91 4 5 1 84 232.329 4 ↓

Analogs

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Popular Name: 6-chloro-N-(1,1-dioxothian-4-yl)pyrimidin-4-amine 6-chloro-N-(1,1-dioxothian-4-yl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.80 2.03 -14.9 1 5 0 72 261.734 2 ↓

Analogs

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Popular Name: N2-(1,1-dioxothian-4-yl)-3-methyl-pyridine-2,5-diamine N2-(1,1-dioxothian-4-yl)-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) 0.72 1.2 -42.1 4 5 1 86 256.351 2 ↓
Mid Mid (pH 6-8) 0.72 0.85 -12.77 3 5 0 85 255.343 2 ↓

Analogs

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Popular Name: 2-chloro-N-(1,1-dioxothian-4-yl)-6-methyl-pyrimidin-4-amine 2-chloro-N-(1,1-dioxothian-4-yl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.22 2.02 -17.26 1 5 0 72 275.761 2 ↓

Analogs

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Popular Name: N-(1,1-dioxothian-4-yl)pyridazin-3-amine N-(1,1-dioxothian-4-yl)pyridazin…

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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) -0.02 0.75 -18.27 1 5 0 72 227.289 2 ↓
Mid Mid (pH 6-8) -0.02 0.93 -46.31 2 5 1 73 228.297 2 ↓
Mid Mid (pH 6-8) -0.02 0.91 -47.95 2 5 1 73 228.297 2 ↓

Analogs

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Popular Name: (1,1-dioxothian-4-yl)cyanamide (1,1-dioxothian-4-yl)cyanamide

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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) -0.34 2.01 -15.19 1 4 0 70 174.225 1 ↓

Analogs

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Popular Name: 6-chloro-N-(1,1-dioxothian-4-yl)-2-methyl-pyrimidin-4-amine 6-chloro-N-(1,1-dioxothian-4-yl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.89 1.98 -15.05 1 5 0 72 275.761 2 ↓

Analogs

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Popular Name: N1-(1,1-dioxothian-4-yl)-4-nitro-benzene-1,2-diamine N1-(1,1-dioxothian-4-yl)-4-nitro…

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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) 1.62 1.57 -19.63 3 7 0 118 285.325 3 ↓

Analogs

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Popular Name: 1-(1,1-dioxothian-4-yl)benzimidazol-5-amine 1-(1,1-dioxothian-4-yl)benzimida…

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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) 0.34 2.92 -18.23 2 5 0 78 265.338 1 ↓
Mid Mid (pH 6-8) 0.34 3.41 -43.77 3 5 1 79 266.346 1 ↓

Analogs

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Popular Name: 1-(1,1-dioxothian-4-yl)-2-methyl-benzimidazol-5-amine 1-(1,1-dioxothian-4-yl)-2-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) 0.43 2.63 -19.2 2 5 0 78 279.365 1 ↓
Mid Mid (pH 6-8) 0.43 3.07 -42.42 3 5 1 79 280.373 1 ↓

Analogs

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Popular Name: 1-(1,1-dioxothian-4-yl)-2-ethyl-benzimidazol-5-amine 1-(1,1-dioxothian-4-yl)-2-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) 1.00 3.23 -18.73 2 5 0 78 293.392 2 ↓
Mid Mid (pH 6-8) 1.00 3.66 -40.49 3 5 1 79 294.4 2 ↓

Analogs

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Popular Name: 1-(1,1-dioxothian-4-yl)-2-propyl-benzimidazol-5-amine 1-(1,1-dioxothian-4-yl)-2-propyl…

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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 4 -18.42 2 5 0 78 307.419 3 ↓
Mid Mid (pH 6-8) 1.50 4.44 -40.51 3 5 1 79 308.427 3 ↓

Analogs

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Popular Name: 1-(1,1-dioxothian-4-yl)-2-isopropyl-benzimidazol-5-amine 1-(1,1-dioxothian-4-yl)-2-isopro…

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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 3.68 -18.19 2 5 0 78 307.419 2 ↓
Mid Mid (pH 6-8) 1.48 4.26 -38.61 3 5 1 79 308.427 2 ↓

Analogs

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Popular Name: 2-cyclopropyl-1-(1,1-dioxothian-4-yl)benzimidazol-5-amine 2-cyclopropyl-1-(1,1-dioxothian-…

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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 4.18 -18.45 2 5 0 78 305.403 2 ↓
Mid Mid (pH 6-8) 0.79 4.54 -38.42 3 5 1 79 306.411 2 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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