UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5-(1-oxo-1,4-thiazinan-4-yl)-1,3,4-thiadiazole-2-thiol 5-(1-oxo-1,4-thiazinan-4-yl)-1,3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.13 2.19 -53.57 0 4 -1 46 234.351 1 ↓

Analogs

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Popular Name: 2-[[5-(1-oxo-1,4-thiazinan-4-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-(1-oxo-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) -0.42 3.53 -57.44 0 6 -1 86 292.387 4 ↓

Analogs

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Popular Name: 2-methyl-5-(1-oxo-1,4-thiazinan-4-yl)aniline 2-methyl-5-(1-oxo-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) 0.76 2.68 -14.49 2 3 0 46 224.329 1 ↓

Analogs

44766840
44766840

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Popular Name: 2-(1-oxo-1,4-thiazinane-4-carbonyl)-2-propyl-pentanenitrile 2-(1-oxo-1,4-thiazinane-4-carbon…

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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 4.21 -14.86 0 4 0 61 270.398 5 ↓

Analogs

44766840
44766840
260873
260873

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Popular Name: (2S)-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanenitrile (2S)-2-(1-oxo-1,4-thiazinane-4-c…

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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) -0.44 2.26 -16.3 0 4 0 61 214.29 2 ↓

Analogs

44766840
44766840
260873
260873

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Popular Name: (2R)-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanenitrile (2R)-2-(1-oxo-1,4-thiazinane-4-c…

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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) -0.44 2.21 -21.75 0 4 0 61 214.29 2 ↓

Analogs

44766840
44766840

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Popular Name: (2S)-2-(1-oxo-1,4-thiazinane-4-carbonyl)pentanenitrile (2S)-2-(1-oxo-1,4-thiazinane-4-c…

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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 3.04 -16.26 0 4 0 61 228.317 3 ↓

Analogs

44766840
44766840

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Popular Name: (2R)-2-(1-oxo-1,4-thiazinane-4-carbonyl)pentanenitrile (2R)-2-(1-oxo-1,4-thiazinane-4-c…

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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 2.99 -21.76 0 4 0 61 228.317 3 ↓

Analogs

57794172
57794172
57888556
57888556
44766840
44766840

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Popular Name: (2S)-3-methyl-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanenitrile (2S)-3-methyl-2-(1-oxo-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) 0.56 2.81 -15.61 0 4 0 61 228.317 2 ↓

Analogs

57794172
57794172
57888556
57888556
44766840
44766840

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Popular Name: (2R)-3-methyl-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanenitrile (2R)-3-methyl-2-(1-oxo-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) 0.56 2.76 -21.11 0 4 0 61 228.317 2 ↓

Analogs

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Popular Name: (2S)-2-benzyl-3-oxo-3-(1-oxo-1,4-thiazinan-4-yl)propanenitrile (2S)-2-benzyl-3-oxo-3-(1-oxo-1,4…

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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) 0.48 5.22 -16.71 0 4 0 61 276.361 3 ↓

Analogs

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Popular Name: (2R)-2-benzyl-3-oxo-3-(1-oxo-1,4-thiazinan-4-yl)propanenitrile (2R)-2-benzyl-3-oxo-3-(1-oxo-1,4…

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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) 0.48 5.21 -16.68 0 4 0 61 276.361 3 ↓

Analogs

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Popular Name: (2S)-2-methyl-3-oxo-3-(1-oxo-1,4-thiazinan-4-yl)propanenitrile (2S)-2-methyl-3-oxo-3-(1-oxo-1,4…

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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) -0.95 1.74 -27.6 0 4 0 61 200.263 1 ↓

Analogs

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Popular Name: (2R)-2-methyl-3-oxo-3-(1-oxo-1,4-thiazinan-4-yl)propanenitrile (2R)-2-methyl-3-oxo-3-(1-oxo-1,4…

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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) -0.95 1.73 -26.68 0 4 0 61 200.263 1 ↓

Analogs

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Popular Name: 1-oxo-N-phenyl-1,4-thiazinane-4-carboxamidine 1-oxo-N-phenyl-1,4-thiazinane-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) 0.22 5.23 -17.12 2 4 0 59 237.328 2 ↓

Analogs

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Popular Name: 5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-3-amine 5-methyl-6-(1-oxo-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) 0.03 2.62 -37.73 3 4 1 60 226.325 1 ↓
Mid Mid (pH 6-8) 0.03 2.17 -18.07 2 4 0 59 225.317 1 ↓

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) 0.54 3.77 -17.97 0 4 0 46 245.735 1 ↓

Analogs

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

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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) -1.79 -0.63 -17.84 3 5 0 79 177.229 1 ↓

Analogs

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Popular Name: 4-(6-chloro-2-methyl-pyrimidin-4-yl)-1,4-thiazinane 4-(6-chloro-2-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) 0.20 3.74 -16.57 0 4 0 46 245.735 1 ↓

Analogs

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Popular Name: 5-nitro-2-(1-oxo-1,4-thiazinan-4-yl)aniline 5-nitro-2-(1-oxo-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) 0.27 3.65 -16.9 2 6 0 92 255.299 2 ↓

Analogs

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Popular Name: [5-chloro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]methanamine [5-chloro-2-(1-oxo-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) 0.69 3.22 -67.79 3 3 1 48 259.782 2 ↓

Analogs

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Popular Name: 5-chloro-2-(1-oxo-1,4-thiazinan-4-yl)benzenecarbothioamide 5-chloro-2-(1-oxo-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) 1.30 4.51 -13.08 2 3 0 46 288.825 2 ↓

Analogs

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Popular Name: 5-chloro-2-(1-oxo-1,4-thiazinan-4-yl)benzonitrile 5-chloro-2-(1-oxo-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) 1.26 5.36 -20.84 0 3 0 44 254.742 1 ↓

Analogs

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Popular Name: 5-chloro-2-(1-oxo-1,4-thiazinan-4-yl)benzamidine 5-chloro-2-(1-oxo-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) -0.11 2.91 -51.19 4 4 1 72 272.781 2 ↓
Mid Mid (pH 6-8) -0.11 3.87 -11.03 3 4 0 70 271.773 2 ↓

Analogs

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Popular Name: 5-chloro-N'-hydroxy-2-(1-oxo-1,4-thiazinan-4-yl)benzamidine 5-chloro-N'-hydroxy-2-(1-oxo-1,4…

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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) -0.18 1.85 -16.38 3 5 0 79 287.772 2 ↓
Lo Low (pH 4.5-6) -0.18 1.76 -52.42 4 5 1 81 288.78 2 ↓

Analogs

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Popular Name: (2R)-2-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]-2-phenyl-propanoic (2R)-2-[(1-oxo-1,4-thiazinane-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) 0.68 5.31 -72.59 1 6 -1 90 309.367 3 ↓

Analogs

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Popular Name: (2S)-2-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]-2-phenyl-propanoic (2S)-2-[(1-oxo-1,4-thiazinane-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) 0.68 5.35 -73.03 1 6 -1 90 309.367 3 ↓

Analogs

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Popular Name: (2R)-2-amino-1-(1-oxo-1,4-thiazinan-4-yl)-2-phenyl-propan-1-one (2R)-2-amino-1-(1-oxo-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) -0.04 2.16 -15.8 2 4 0 63 266.366 2 ↓
Mid Mid (pH 6-8) -0.04 2.37 -53.49 3 4 1 65 267.374 2 ↓

Analogs

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Popular Name: (2S)-2-amino-1-(1-oxo-1,4-thiazinan-4-yl)-2-phenyl-propan-1-one (2S)-2-amino-1-(1-oxo-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) -0.04 2.11 -17.79 2 4 0 63 266.366 2 ↓
Mid Mid (pH 6-8) -0.04 2.35 -53.29 3 4 1 65 267.374 2 ↓

Analogs

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Popular Name: (2S)-1-(1-oxo-1,4-thiazinan-4-yl)-2-phenyl-propan-2-amine (2S)-1-(1-oxo-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) 0.64 2.17 -49.35 3 3 1 48 253.391 3 ↓
Hi High (pH 8-9.5) 0.64 2.79 -12.13 2 3 0 46 252.383 3 ↓

Analogs

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Popular Name: (2R)-1-(1-oxo-1,4-thiazinan-4-yl)-2-phenyl-propan-2-amine (2R)-1-(1-oxo-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) 0.64 2.4 -48.67 3 3 1 48 253.391 3 ↓
Hi High (pH 8-9.5) 0.64 2.41 -11.42 2 3 0 46 252.383 3 ↓

Analogs

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Popular Name: 2-chloro-N'-hydroxy-6-(1-oxo-1,4-thiazinan-4-yl)benzamidine 2-chloro-N'-hydroxy-6-(1-oxo-1,4…

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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) -0.20 1.41 -16.87 3 5 0 79 287.772 2 ↓
Lo Low (pH 4.5-6) -0.20 1.35 -48.35 4 5 1 81 288.78 2 ↓

Analogs

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Popular Name: 2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)benzamidine 2-chloro-6-(1-oxo-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) -0.13 2.46 -46.59 4 4 1 72 272.781 2 ↓
Mid Mid (pH 6-8) -0.13 2.59 -15.85 3 4 0 70 271.773 2 ↓

Analogs

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Popular Name: 2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)benzenecarbothioamide 2-chloro-6-(1-oxo-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) 1.28 4.35 -18.4 2 3 0 46 288.825 2 ↓

Analogs

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Popular Name: 2-chloro-6-(1-oxo-1,4-thiazinan-4-yl)benzonitrile 2-chloro-6-(1-oxo-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) 1.24 5.26 -23.66 0 3 0 44 254.742 1 ↓

Analogs

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Popular Name: 2-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]aniline 2-[2-(1-oxo-1,4-thiazinan-4-yl)e…

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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) 0.44 2.07 -13.34 2 3 0 46 238.356 3 ↓
Mid Mid (pH 6-8) 0.44 4.18 -53.99 3 3 1 48 239.364 3 ↓

Analogs

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Popular Name: 2-(3-aminophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone 2-(3-aminophenyl)-1-(1-oxo-1,4-t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.62 2.5 -21.28 2 4 0 63 252.339 2 ↓

Analogs

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Popular Name: 3-(1-oxo-1,4-thiazinan-4-yl)-1-piperazin-1-yl-propan-1-one 3-(1-oxo-1,4-thiazinan-4-yl)-1-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) -1.88 0.22 -57.5 2 5 1 57 260.383 3 ↓
Mid Mid (pH 6-8) -1.88 -1.11 -16.12 1 5 0 53 259.375 3 ↓
Lo Low (pH 4.5-6) -1.88 2.33 -115.31 3 5 2 58 261.391 3 ↓

Analogs

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Popular Name: 2-methoxy-N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]ethanamine 2-methoxy-N-[2-(1-oxo-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) -1.38 -0.45 -50.19 2 4 1 46 221.346 6 ↓
Hi High (pH 8-9.5) -1.38 -1.8 -12.07 1 4 0 42 220.338 6 ↓

Analogs

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Popular Name: N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclohexanamine N-[2-(1-oxo-1,4-thiazinan-4-yl)e…

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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 2.79 -52.29 2 3 1 37 245.412 4 ↓

Analogs

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Popular Name: N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cycloheptanamine N-[2-(1-oxo-1,4-thiazinan-4-yl)e…

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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) 1.40 3.23 -52.97 2 3 1 37 259.439 4 ↓

Analogs

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Popular Name: 4-methyl-N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclohexanamine 4-methyl-N-[2-(1-oxo-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) 0.66 3.18 -53.17 2 3 1 37 259.439 4 ↓

Analogs

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Popular Name: 2-(1-oxo-1,4-thiazinan-4-yl)-N-(2-pyridylmethyl)ethanamine 2-(1-oxo-1,4-thiazinan-4-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) -0.79 1.6 -54.15 2 4 1 50 254.379 5 ↓
Hi High (pH 8-9.5) -0.79 0.22 -15.81 1 4 0 45 253.371 5 ↓

Analogs

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Popular Name: 4-fluoro-N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]aniline 4-fluoro-N-[2-(1-oxo-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) 0.85 2.32 -14.77 1 3 0 32 256.346 4 ↓
Lo Low (pH 4.5-6) 0.85 4.44 -60.37 2 3 1 34 257.354 4 ↓

Analogs

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Popular Name: 2-bromo-N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]aniline 2-bromo-N-[2-(1-oxo-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) 1.45 2.97 -12.98 1 3 0 32 317.252 4 ↓
Lo Low (pH 4.5-6) 1.45 5.09 -55.86 2 3 1 34 318.26 4 ↓

Analogs

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Popular Name: 2-chloro-N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]aniline 2-chloro-N-[2-(1-oxo-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) 1.31 2.85 -13 1 3 0 32 272.801 4 ↓
Lo Low (pH 4.5-6) 1.31 4.97 -55.84 2 3 1 34 273.809 4 ↓

Analogs

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Popular Name: 2-(1-oxo-1,4-thiazinan-4-yl)-N-(2-thienylmethyl)ethanamine 2-(1-oxo-1,4-thiazinan-4-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) 0.28 2.53 -54.78 2 3 1 37 259.42 5 ↓
Mid Mid (pH 6-8) 0.28 1.17 -13.2 1 3 0 32 258.412 5 ↓

Analogs

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Popular Name: (1S,2R)-2-methyl-N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclohexanamine (1S,2R)-2-methyl-N-[2-(1-oxo-1,4…

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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) 1.13 3.27 -51.97 2 3 1 37 259.439 4 ↓

Analogs

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Popular Name: (1S,2S)-2-methyl-N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclohexanamine (1S,2S)-2-methyl-N-[2-(1-oxo-1,4…

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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) 1.13 3.45 -51.64 2 3 1 37 259.439 4 ↓

Analogs

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Popular Name: (1R,2R)-2-methyl-N-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclohexanamine (1R,2R)-2-methyl-N-[2-(1-oxo-1,4…

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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) 1.13 3.45 -51.59 2 3 1 37 259.439 4 ↓

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