UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-methyl-1-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]isoxazol-3-yl]methanamine N-methyl-1-[5-[(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) -0.88 2.41 -119.75 3 5 2 64 245.348 4 ↓
Hi High (pH 8-9.5) -0.88 0.29 -57.89 2 5 1 63 244.34 4 ↓

Analogs

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Popular Name: N-[[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]isoxazol-3-yl]methyl]ethanamine N-[[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) -0.50 3.27 -119.67 3 5 2 64 259.375 5 ↓
Hi High (pH 8-9.5) -0.50 1.14 -57.08 2 5 1 63 258.367 5 ↓

Analogs

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Popular Name: N-[[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]isoxazol-3-yl]methyl]propan-1-amine N-[[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) 0.00 4.02 -121.19 3 5 2 64 273.402 6 ↓
Hi High (pH 8-9.5) 0.00 1.89 -57.94 2 5 1 63 272.394 6 ↓

Analogs

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Popular Name: N-[[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]isoxazol-3-yl]methyl]propan-2-amine N-[[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) -0.20 3.78 -119.26 3 5 2 64 273.402 5 ↓
Hi High (pH 8-9.5) -0.20 1.66 -55.79 2 5 1 63 272.394 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]isoxazol-3-yl]methyl]propan-2-amine 2-methyl-N-[[5-[(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) 0.31 4.21 -117.39 3 5 2 64 287.429 5 ↓
Hi High (pH 8-9.5) 0.31 2.09 -53.4 2 5 1 63 286.421 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]isoxazol-3-yl]methyl]propan-1-amine 2-methyl-N-[[5-[(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) 0.24 4.7 -121.58 3 5 2 64 287.429 6 ↓
Hi High (pH 8-9.5) 0.24 2.59 -58.14 2 5 1 63 286.421 6 ↓

Analogs

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Popular Name: [5-[(1-oxo-1,4-thiazinan-4-yl)methyl]isoxazol-3-yl]methanamine [5-[(1-oxo-1,4-thiazinan-4-yl)me…

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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 0.52 -124.67 4 5 2 75 231.321 3 ↓
Hi High (pH 8-9.5) -1.25 -1.58 -63.5 3 5 1 74 230.313 3 ↓

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Structural Results Found: (before additional filtering)

SQL Query Was

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