UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

968362
968362
5735828
5735828
7997825
7997825

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Popular Name: Nifurtimox Nifurtimox

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50418-2-O Trypanosoma Brucei (cluster #2 Of 6), Other Other 4300 0.40 Functional ≤ 10μM
Z50420-4-O Trypanosoma Brucei Brucei (cluster #4 Of 7), Other Other 6000 0.38 Functional ≤ 10μM
Z50466-7-O Trypanosoma Cruzi (cluster #7 Of 8), Other Other 9500 0.37 Functional ≤ 10μM
Z50691-1-O Trypanosoma Brucei Gambiense (cluster #1 Of 1), Other Other 260 0.49 Functional ≤ 10μM
Z50725-2-O Trypanosoma Brucei Rhodesiense (cluster #2 Of 7), Other Other 2000 0.42 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50418 Z50418 Trypanosoma Brucei 1800 0.42 Functional ≤ 10μM
Z50420 Z50420 Trypanosoma Brucei Brucei 3400 0.40 Functional ≤ 10μM
Z50691 Z50691 Trypanosoma Brucei Gambiense 260 0.49 Functional ≤ 10μM
Z50725 Z50725 Trypanosoma Brucei Rhodesiense 1500 0.43 Functional ≤ 10μM
Z50466 Z50466 Trypanosoma Cruzi 10000 0.37 Functional ≤ 10μM

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) 0.71 1.85 -30.01 0 8 0 109 287.297 3 ↓

Analogs

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Popular Name: (1,1-dioxo-1,4-thiazinan-4-yl)-[5-(3-hydroxyprop-1-ynyl)-3-pyridyl]methanone (1,1-dioxo-1,4-thiazinan-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) -1.52 -0.43 -17.1 1 6 0 88 294.332 1 ↓

Analogs

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Popular Name: (1,1-dioxo-1,4-thiazinan-4-yl)-[5-(4-hydroxybut-1-ynyl)-3-pyridyl]methanone (1,1-dioxo-1,4-thiazinan-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) -1.25 0.33 -16.18 1 6 0 88 308.359 2 ↓

Analogs

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Popular Name: (E)-3-[5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-3-pyridyl]prop-2-enoic (E)-3-[5-(1,1-dioxo-1,4-thiazina…

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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) -1.30 2.6 -53.91 0 7 -1 107 309.323 3 ↓

Analogs

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Popular Name: [5-(3-aminoprop-1-ynyl)-3-pyridyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone [5-(3-aminoprop-1-ynyl)-3-pyridy…

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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) -2.08 0.28 -67.24 3 6 1 95 294.356 1 ↓
Mid Mid (pH 6-8) -2.08 -0.13 -15.45 2 6 0 93 293.348 1 ↓

Analogs

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Popular Name: (5-bromo-3-pyridyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (5-bromo-3-pyridyl)-(1,1-dioxo-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) -0.12 1.36 -14.05 0 5 0 67 319.18 1 ↓

Analogs

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Popular Name: 5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-thiadiazole-2-thiol 5-(1,1-dioxo-1,4-thiazinan-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) 0.54 1.11 -45.07 0 5 -1 63 250.35 1 ↓

Analogs

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Popular Name: 2-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-(1,1-dioxo-1,4-thiazinan-4…

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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 2.45 -50.63 0 7 -1 103 308.386 4 ↓

Analogs

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Popular Name: (1,1-dioxo-1,4-thiazinan-4-yl)-[5-(3-hydroxyprop-1-ynyl)-2-thienyl]methanone (1,1-dioxo-1,4-thiazinan-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) 0.34 0.53 -16.94 1 5 0 75 299.373 1 ↓

Analogs

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Popular Name: (1,1-dioxo-1,4-thiazinan-4-yl)-[5-(4-hydroxybut-1-ynyl)-2-thienyl]methanone (1,1-dioxo-1,4-thiazinan-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) 0.61 1.29 -15.05 1 5 0 75 313.4 2 ↓

Analogs

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Popular Name: 4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-3-nitro-aniline 4-[(1,1-dioxo-1,4-thiazinan-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) -0.52 -0.03 -25.84 2 9 0 143 335.363 3 ↓

Analogs

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Popular Name: 2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-4-nitro-aniline 2-[(1,1-dioxo-1,4-thiazinan-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) -0.12 -0.24 -22.05 2 9 0 143 335.363 3 ↓

Analogs

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Popular Name: 2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-5-nitro-aniline 2-[(1,1-dioxo-1,4-thiazinan-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) -0.12 -0.25 -18.96 2 9 0 143 335.363 3 ↓

Analogs

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Popular Name: 3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-4-nitro-aniline 3-[(1,1-dioxo-1,4-thiazinan-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) -0.52 -0.03 -26.48 2 9 0 143 335.363 3 ↓

Analogs

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Popular Name: 4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethyl-aniline 4-[(1,1-dioxo-1,4-thiazinan-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) 0.75 0.22 -16.2 1 6 0 84 318.42 4 ↓

Analogs

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Popular Name: 4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-propyl-aniline 4-[(1,1-dioxo-1,4-thiazinan-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) 1.25 0.97 -16 1 6 0 84 332.447 5 ↓

Analogs

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Popular Name: 5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methyl-pyridin-2-amine 5-[(1,1-dioxo-1,4-thiazinan-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) -0.36 -1.55 -17.72 1 7 0 96 305.381 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethyl-pyridin-2-amine 5-[(1,1-dioxo-1,4-thiazinan-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) 0.02 -0.74 -17.26 1 7 0 96 319.408 4 ↓

Analogs

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Popular Name: 5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-propyl-pyridin-2-amine 5-[(1,1-dioxo-1,4-thiazinan-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) 0.52 0.03 -16.98 1 7 0 96 333.435 5 ↓

Analogs

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Popular Name: 2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methyl-aniline 2-[(1,1-dioxo-1,4-thiazinan-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) 0.32 0.33 -16.04 1 6 0 84 304.393 3 ↓

Analogs

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Popular Name: 2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethyl-aniline 2-[(1,1-dioxo-1,4-thiazinan-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) 0.70 1.05 -15.67 1 6 0 84 318.42 4 ↓

Analogs

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Popular Name: 2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-propyl-aniline 2-[(1,1-dioxo-1,4-thiazinan-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) 1.20 1.81 -15.37 1 6 0 84 332.447 5 ↓

Analogs

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Popular Name: 5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methyl-imidazo[2,1-b]thiazol-6-amine 5-[(1,1-dioxo-1,4-thiazinan-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) -0.12 0.38 -19.92 1 8 0 101 350.447 3 ↓

Analogs

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Popular Name: 3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methyl-pyridin-2-amine 3-[(1,1-dioxo-1,4-thiazinan-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) -0.58 -0.32 -17.01 1 7 0 96 305.381 3 ↓

Analogs

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Popular Name: 3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethyl-pyridin-2-amine 3-[(1,1-dioxo-1,4-thiazinan-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) -0.20 0.48 -16.82 1 7 0 96 319.408 4 ↓

Analogs

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Popular Name: 3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-propyl-pyridin-2-amine 3-[(1,1-dioxo-1,4-thiazinan-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) 0.30 1.25 -16.61 1 7 0 96 333.435 5 ↓

Analogs

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Popular Name: 5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methyl-pyrimidin-2-amine 5-[(1,1-dioxo-1,4-thiazinan-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) -0.67 -0.93 -18.11 1 8 0 109 306.369 3 ↓

Analogs

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Popular Name: 5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethyl-pyrimidin-2-amine 5-[(1,1-dioxo-1,4-thiazinan-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) -0.29 -0.1 -17.61 1 8 0 109 320.396 4 ↓

Analogs

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Popular Name: 5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-propyl-pyrimidin-2-amine 5-[(1,1-dioxo-1,4-thiazinan-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) 0.21 0.67 -17.38 1 8 0 109 334.423 5 ↓

Analogs

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Popular Name: 4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methyl-pyridin-2-amine 4-[(1,1-dioxo-1,4-thiazinan-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) -0.58 -1.53 -17.73 1 7 0 96 305.381 3 ↓

Analogs

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Popular Name: 4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethyl-pyridin-2-amine 4-[(1,1-dioxo-1,4-thiazinan-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) -0.20 -0.72 -17.27 1 7 0 96 319.408 4 ↓

Analogs

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Popular Name: 4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-propyl-pyridin-2-amine 4-[(1,1-dioxo-1,4-thiazinan-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) 0.30 0.05 -17.03 1 7 0 96 333.435 5 ↓

Analogs

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Popular Name: 5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methyl-pyridin-2-amine 5-bromo-3-[(1,1-dioxo-1,4-thiazi…

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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 0.28 -15.76 1 7 0 96 384.277 3 ↓

Analogs

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Popular Name: 5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-ethyl-pyridin-2-amine 5-bromo-3-[(1,1-dioxo-1,4-thiazi…

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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 1.07 -15.42 1 7 0 96 398.304 4 ↓

Analogs

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Popular Name: 5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine 5-[(1,1-dioxo-1,4-thiazinan-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) -0.73 -2.45 -17.8 2 7 0 110 291.354 2 ↓

Analogs

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Popular Name: 5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]imidazo[2,1-b]thiazol-6-amine 5-[(1,1-dioxo-1,4-thiazinan-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) -0.49 -0.65 -19.77 2 8 0 115 336.42 2 ↓

Analogs

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Popular Name: 3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine 3-[(1,1-dioxo-1,4-thiazinan-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) -0.95 -1.86 -17.1 2 7 0 110 291.354 2 ↓

Analogs

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Popular Name: 5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]pyrimidin-2-amine 5-[(1,1-dioxo-1,4-thiazinan-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) -1.46 -2.04 -18.1 2 8 0 123 292.342 2 ↓

Analogs

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Popular Name: 4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine 4-[(1,1-dioxo-1,4-thiazinan-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) -0.95 -2.43 -17.84 2 7 0 110 291.354 2 ↓

Analogs

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Popular Name: 3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]imidazo[1,2-a]pyridin-2-amine 3-[(1,1-dioxo-1,4-thiazinan-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) -0.23 0.15 -20.05 2 8 0 115 330.391 2 ↓

Analogs

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Popular Name: 5-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine 5-bromo-3-[(1,1-dioxo-1,4-thiazi…

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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) 0.00 -1.25 -15.93 2 7 0 110 370.25 2 ↓

Analogs

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Popular Name: (3S)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-butanamidine (3S)-3-(1,1-dioxo-1,4-thiazinan-…

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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) -0.78 -2.73 -13.45 3 6 0 96 235.309 3 ↓
Lo Low (pH 4.5-6) -0.78 -1.18 -48.66 4 6 1 97 236.317 3 ↓

Analogs

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Popular Name: (3R)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-butanamidine (3R)-3-(1,1-dioxo-1,4-thiazinan-…

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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) -0.78 -2.65 -13.39 3 6 0 96 235.309 3 ↓
Lo Low (pH 4.5-6) -0.78 -1.19 -48.69 4 6 1 97 236.317 3 ↓

Analogs

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Popular Name: N-cyclohexyl-1,1-dioxo-1,4-thiazinane-4-carboxamidine N-cyclohexyl-1,1-dioxo-1,4-thiaz…

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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 4.01 -44.65 3 5 1 75 260.383 3 ↓

Analogs

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Popular Name: 1,1-dioxo-N-phenyl-1,4-thiazinane-4-carboxamidine 1,1-dioxo-N-phenyl-1,4-thiazinan…

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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 4.16 -14.05 2 5 0 76 253.327 2 ↓

Analogs

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Popular Name: Thiomorpholine, 4-(6-chloro-4-pyrimidinyl)-, 1,1-dioxide Thiomorpholine, 4-(6-chloro-4-py…

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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) 0.52 2.74 -13.12 0 5 0 63 247.707 1 ↓

Analogs

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Popular Name: 6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-pyridin-3-amine 6-(1,1-dioxo-1,4-thiazinan-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) 0.43 1.12 -11.73 2 5 0 76 241.316 1 ↓
Mid Mid (pH 6-8) 0.43 1.58 -41.48 3 5 1 78 242.324 1 ↓

Analogs

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Popular Name: 4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]-1,4-thiazinane 4-[(5-methyl-2-phenyl-1H-imidazo…

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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 3.32 -43.64 2 5 1 67 306.411 3 ↓
Mid Mid (pH 6-8) 1.57 2.93 -16.54 1 5 0 66 305.403 3 ↓

Analogs

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

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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) 0.94 2.71 -15.07 0 5 0 63 261.734 1 ↓

Analogs

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Popular Name: N'-hydroxy-1,1-dioxo-1,4-thiazinane-4-carboxamidine N'-hydroxy-1,1-dioxo-1,4-thiazin…

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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) -1.39 -1.68 -12.98 3 6 0 96 193.228 1 ↓

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