UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43074402
43074402
40952890
40952890

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Popular Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-(phenethylamino)propyl]-3-(1,1-dioxothiazinan-2-yl)-5-(ethylamino)be N-[(1S,2R)-1-benzyl-2-hydroxy-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) 3.56 8.35 -71.28 5 8 1 115 565.76 13 ↓
Hi High (pH 8-9.5) 3.56 7 -24.03 4 8 0 111 564.752 13 ↓

Analogs

43074402
43074402
40952890
40952890

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Popular Name: N-[(1R,2R)-1-benzyl-2-hydroxy-3-(phenethylamino)propyl]-3-(1,1-dioxothiazinan-2-yl)-5-(ethylamino)be N-[(1R,2R)-1-benzyl-2-hydroxy-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) 3.56 8.84 -70.92 5 8 1 115 565.76 13 ↓
Hi High (pH 8-9.5) 3.56 7.49 -24.07 4 8 0 111 564.752 13 ↓

Analogs

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Popular Name: N-[(1S,2R)-3-(2-adamantylamino)-1-benzyl-2-hydroxy-propyl]-3-(1,1-dioxothiazinan-2-yl)-5-(ethylamino N-[(1S,2R)-3-(2-adamantylamino)-…

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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) 4.87 8.89 -67.79 5 8 1 115 595.83 11 ↓

Analogs

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Popular Name: N-[(1R,2R)-3-(2-adamantylamino)-1-benzyl-2-hydroxy-propyl]-3-(1,1-dioxothiazinan-2-yl)-5-(ethylamino N-[(1R,2R)-3-(2-adamantylamino)-…

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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) 4.87 9.37 -67.63 5 8 1 115 595.83 11 ↓

Analogs

42804037
42804037

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Popular Name: N-[(1S,2R)-1-benzyl-3-[(1-ethylcyclohexyl)amino]-2-hydroxy-propyl]-3-(1,1-dioxothiazinan-2-yl)-5-(et N-[(1S,2R)-1-benzyl-3-[(1-ethylc…

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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) 4.96 8 -61.89 5 8 1 115 571.808 12 ↓

Analogs

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Popular Name: N-[(1S)-1-(benzotriazol-1-ylmethyl)-2-methyl-propyl]-4-(1,1-dioxothiazinan-2-yl)benzamide N-[(1S)-1-(benzotriazol-1-ylmeth…

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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) 3.16 6.56 -26.33 1 8 0 97 441.557 6 ↓

Analogs

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Popular Name: N-[(1S)-1-(benzotriazol-1-ylmethyl)-2-methyl-propyl]-3-(1,1-dioxothiazinan-2-yl)benzamide N-[(1S)-1-(benzotriazol-1-ylmeth…

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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) 3.14 6.55 -21.64 1 8 0 97 441.557 6 ↓

Analogs

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Popular Name: N-[(1R)-1-(benzotriazol-1-ylmethyl)-2-methyl-propyl]-4-(1,1-dioxothiazinan-2-yl)benzamide N-[(1R)-1-(benzotriazol-1-ylmeth…

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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) 3.16 6.88 -22.87 1 8 0 97 441.557 6 ↓

Analogs

11999183
11999183

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Popular Name: 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-(2-isopropylphenyl)benzamide 2-chloro-4-(1,1-dioxothiazinan-2…

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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) 4.31 -2.93 -22.21 1 5 0 66 406.935 4 ↓

Analogs

11999180
11999180

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Popular Name: N-(2-tert-butylphenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide N-(2-tert-butylphenyl)-2-chloro-…

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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) 4.97 9.47 -14.92 1 5 0 66 420.962 4 ↓

Analogs

5438728
5438728

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Popular Name: 2-chloro-N-(3-chloro-4-fluoro-phenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide 2-chloro-N-(3-chloro-4-fluoro-ph…

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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) 4.08 -3.48 -14.53 1 5 0 66 417.289 3 ↓

Analogs

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Popular Name: 2-chloro-N-(3-chloro-4-methoxy-phenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide 2-chloro-N-(3-chloro-4-methoxy-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) 3.98 -4.12 -18.53 1 6 0 76 429.325 4 ↓

Analogs

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Popular Name: 2-chloro-N-(5-chloro-2-methoxy-phenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide 2-chloro-N-(5-chloro-2-methoxy-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) 3.98 -4.07 -16.01 1 6 0 76 429.325 4 ↓

Analogs

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Popular Name: N-(4-bromophenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide N-(4-bromophenyl)-2-chloro-4-(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) 4.12 -4.8 -14.85 1 5 0 66 443.75 3 ↓

Analogs

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Popular Name: 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-(2-isopropoxyphenyl)benzamide 2-chloro-4-(1,1-dioxothiazinan-2…

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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) 4.06 -3.57 -21.04 1 6 0 76 422.934 5 ↓

Analogs

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Popular Name: 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-(4-isopropoxyphenyl)benzamide 2-chloro-4-(1,1-dioxothiazinan-2…

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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) 4.11 -3.73 -15.96 1 6 0 76 422.934 5 ↓

Analogs

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Popular Name: 2-chloro-N-(2,5-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide 2-chloro-N-(2,5-dimethoxyphenyl)…

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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) 3.36 -3.91 -18.1 1 7 0 85 424.906 5 ↓

Analogs

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Popular Name: 2-chloro-N-(2,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide 2-chloro-N-(2,4-dimethoxyphenyl)…

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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) 3.36 -3.9 -15.96 1 7 0 85 424.906 5 ↓

Analogs

11999233
11999233

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Popular Name: 2-chloro-N-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide 2-chloro-N-(3,4-dimethoxyphenyl)…

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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 -3.72 -18.22 1 7 0 85 424.906 5 ↓

Analogs

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Popular Name: 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]benzamide 2-chloro-4-(1,1-dioxothiazinan-2…

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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) 4.18 -1.88 -17.72 1 5 0 66 432.851 4 ↓

Analogs

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Popular Name: 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[4-(trifluoromethyl)phenyl]benzamide 2-chloro-4-(1,1-dioxothiazinan-2…

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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) 4.21 -1.89 -15.47 1 5 0 66 432.851 4 ↓

Analogs

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Popular Name: N-(3-acetylphenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide N-(3-acetylphenyl)-2-chloro-4-(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) 3.19 -3.68 -32.6 1 6 0 84 406.891 4 ↓

Analogs

5438747
5438747

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Popular Name: N-(4-acetylphenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide N-(4-acetylphenyl)-2-chloro-4-(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) 3.21 -3.56 -20.84 1 6 0 84 406.891 4 ↓

Analogs

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Popular Name: N-(3-acetamidophenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide N-(3-acetamidophenyl)-2-chloro-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) 2.51 -5.16 -20.57 2 7 0 96 421.906 4 ↓

Analogs

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Popular Name: N-(4-acetamidophenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide N-(4-acetamidophenyl)-2-chloro-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) 2.53 -5.16 -20.03 2 7 0 96 421.906 4 ↓

Analogs

39702145
39702145
39702157
39702157

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Popular Name: methyl 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) 3.62 -2.5 -20.4 1 7 0 93 422.89 5 ↓

Analogs

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Popular Name: 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-(4-sulfamoylphenyl)benzamide 2-chloro-4-(1,1-dioxothiazinan-2…

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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) 2.01 -10.3 -22.75 3 8 0 127 443.934 4 ↓

Analogs

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Popular Name: N-(2-bromophenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide N-(2-bromophenyl)-2-chloro-4-(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) 4.08 -4.58 -19.51 1 5 0 66 443.75 3 ↓

Analogs

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Popular Name: 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1,1-dioxothiazinan-2-yl)benzamide 2-chloro-N-(2,3-dihydro-1,4-benz…

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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) 2.82 -4.92 -19.54 1 7 0 85 422.89 3 ↓

Analogs

5381143
5381143

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Popular Name: 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-(8-quinolyl)benzamide 2-chloro-4-(1,1-dioxothiazinan-2…

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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) 3.27 -4.77 -17.77 1 6 0 79 415.902 3 ↓

Analogs

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Popular Name: ethyl 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) 3.86 -2.95 -17.57 1 7 0 93 436.917 6 ↓

Analogs

11999205
11999205

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Popular Name: 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-(3,4,5-trimethoxyphenyl)benzamide 2-chloro-4-(1,1-dioxothiazinan-2…

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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) 2.95 -3.27 -19.38 1 8 0 94 454.932 6 ↓

Analogs

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Popular Name: 2-chloro-N-(4-chloro-2,5-dimethoxy-phenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide 2-chloro-N-(4-chloro-2,5-dimetho…

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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) 3.96 -4 -15.74 1 7 0 85 459.351 5 ↓

Analogs

39702145
39702145
39702157
39702157

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Popular Name: ethyl 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) 3.99 8.27 -16.45 1 7 0 93 436.917 6 ↓

Analogs

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Popular Name: 2-chloro-N-(3-cyanophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide 2-chloro-N-(3-cyanophenyl)-4-(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) 3.05 -2.68 -19.64 1 6 0 90 389.864 3 ↓

Analogs

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Popular Name: 2-chloro-N-(4-cyanophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide 2-chloro-N-(4-cyanophenyl)-4-(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) 3.07 -2.67 -17.54 1 6 0 90 389.864 3 ↓

Analogs

12195622
12195622

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Popular Name: 2-chloro-5-(1,1-dioxothiazinan-2-yl)-N-isopropyl-benzamide 2-chloro-5-(1,1-dioxothiazinan-2…

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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) 2.29 -4.49 -15.9 1 5 0 66 330.837 3 ↓

Analogs

12195377
12195377

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Popular Name: N-benzyl-2-chloro-5-(1,1-dioxothiazinan-2-yl)benzamide N-benzyl-2-chloro-5-(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) 3.02 -5.12 -16.51 1 5 0 66 378.881 4 ↓

Analogs

12195708
12195708

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Popular Name: 2-chloro-5-(1,1-dioxothiazinan-2-yl)-N-phenyl-benzamide 2-chloro-5-(1,1-dioxothiazinan-2…

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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) 3.31 -4.06 -16.98 1 5 0 66 364.854 3 ↓

Analogs

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Popular Name: 2-chloro-5-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide 2-chloro-5-(1,1-dioxothiazinan-2…

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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) 3.48 -3.3 -15.67 1 5 0 66 382.844 3 ↓

Analogs

12207411
12207411
12209444
12209444
12209457
12209457
12209462
12209462
12209790
12209790

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Popular Name: N-cyclopropyl-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-cyclopropyl-4-(1,1-dioxothiazi…

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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) 2.01 -7.66 -16.89 1 6 0 84 358.485 4 ↓

Analogs

12207414
12207414

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Popular Name: N-allyl-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-allyl-4-(1,1-dioxothiazinan-2-…

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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) 2.28 -6.95 -16.46 1 6 0 84 358.485 5 ↓

Analogs

12207443
12207443

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Popular Name: 2-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-phenyl)thiazinane 2-(3,5-dimethyl-4-pyrrolidin-1-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) 2.29 -6.95 -17.16 0 6 0 75 372.512 3 ↓

Analogs

12207472
12207472

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Popular Name: 4-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyethyl)-2,6-dimethyl-benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-N-(2…

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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 -8.03 -16.97 1 7 0 93 376.5 6 ↓

Analogs

12207482
12207482
4375139
4375139

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Popular Name: 2-(3,5-dimethyl-4-morpholinosulfonyl-phenyl)thiazinane 2-(3,5-dimethyl-4-morpholinosulf…

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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) 1.73 -7.75 -17.36 0 7 0 84 388.511 3 ↓

Analogs

12004307
12004307
12207488
12207488
12207493
12207493

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Popular Name: 4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-2,6-…

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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) 2.01 -8.84 -18.12 1 7 0 93 402.538 5 ↓

Analogs

12207488
12207488
12207493
12207493
12004299
12004299

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzenesulfonamide 4-(1,1-dioxothiazinan-2-yl)-2,6-…

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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) 2.01 -8.91 -18.5 1 7 0 93 402.538 5 ↓

Analogs

12207497
12207497

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Popular Name: N-(2-dimethylaminoethyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(2-dimethylaminoethyl)-4-(1,1-…

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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) 1.67 -6.87 -51.14 2 7 1 88 390.551 6 ↓

Analogs

12207510
12207510

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-dimethylaminopropyl)-4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-benzenesulfonamide N-(3-dimethylaminopropyl)-4-(1,1…

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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) 1.94 -6.74 -51.3 2 7 1 88 404.578 7 ↓

Analogs

12207523
12207523

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-(1,1-dioxothiazinan-2-yl)-2,6-dimethyl-phenyl]sulfonylpiperazine-1-carbaldehyde 4-[4-(1,1-dioxothiazinan-2-yl)-2…

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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) 1.16 -6.99 -22.02 0 8 0 95 415.537 3 ↓

Parameters Provided:

ring.id = 8971
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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 = 8971 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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