UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(4-bromo-2-methyl-phenyl)-2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide N-(4-bromo-2-methyl-phenyl)-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) 4.48 8.68 -10.44 2 4 0 58 459.287 4 ↓

Analogs

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Popular Name: N-(4-bromo-2-methyl-phenyl)-2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide N-(4-bromo-2-methyl-phenyl)-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) 4.48 8.69 -10.51 2 4 0 58 459.287 4 ↓

Analogs

8009641
8009641

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Popular Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-2-(9-oxo-7-thia-10-azabicyclo[4.4.0]deca-2,4 N-[(3,5-dimethyl-1-phenyl-pyrazo…

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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) 2.46 -0.19 -14.66 1 6 0 67 420.538 5 ↓

Analogs

8009638
8009638

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Popular Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-2-(9-oxo-7-thia-10-azabicyclo[4.4.0]deca-2,4 N-[(3,5-dimethyl-1-phenyl-pyrazo…

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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) 2.46 -0.17 -13.98 1 6 0 67 420.538 5 ↓

Analogs

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Popular Name: 2-(2-methoxyphenyl)-N-(4-oxo-2-thia-5-azabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-acetamide 2-(2-methoxyphenyl)-N-(4-oxo-2-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) 2.33 5.61 -13.13 2 5 0 67 328.393 4 ↓

Analogs

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Popular Name: 4-(methylsulfanylmethyl)-N-(4-oxo-2-thia-5-azabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-benzamide 4-(methylsulfanylmethyl)-N-(4-ox…

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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) 2.73 7.46 -11.94 2 4 0 58 344.461 4 ↓

Analogs

23786361
23786361
43739864
43739864

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Popular Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-3-(9-oxo-7-thia-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-pr N-[(3-fluoro-4-methyl-phenyl)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) 2.92 -0.7 -11.34 1 4 0 49 358.438 5 ↓

Analogs

8980984
8980984

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Popular Name: 2-(9-oxo-7-thia-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide 2-(9-oxo-7-thia-10-azabicyclo[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) 1.87 -7.05 -19.82 3 7 0 109 405.501 5 ↓

Analogs

8980980
8980980

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Popular Name: 2-(9-oxo-7-thia-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide 2-(9-oxo-7-thia-10-azabicyclo[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) 1.87 -7.04 -19.39 3 7 0 109 405.501 5 ↓

Analogs

3310193
3310193

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Popular Name: 8-[[4-(p-tolylmethyl)-1,4-diazepan-1-yl]carbonyl]-2-thia-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one 8-[[4-(p-tolylmethyl)-1,4-diazep…

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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) 2.32 -0.83 -51.79 2 5 1 53 396.536 3 ↓

Analogs

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Popular Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-4-oxo-2-thia-5-azabicyclo[4.4.0]deca-7,9,11-triene-8-carb N-[2-methyl-5-(1-piperidylsulfon…

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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) 2.83 -6.3 -19.19 2 7 0 95 445.566 4 ↓

Analogs

10502873
10502873

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Popular Name: N-[2-(5-bromo-2-thienyl)ethyl]-2-(8-chloro-4-oxo-2-thia-5-azabicyclo[4.4.0]deca-6,8,10-trien-3-yl)-a N-[2-(5-bromo-2-thienyl)ethyl]-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) 4.02 -4.82 -11.7 2 4 0 58 445.791 5 ↓

Analogs

10502872
10502872

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Popular Name: N-[2-(5-bromo-2-thienyl)ethyl]-2-(8-chloro-4-oxo-2-thia-5-azabicyclo[4.4.0]deca-6,8,10-trien-3-yl)-a N-[2-(5-bromo-2-thienyl)ethyl]-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) 4.02 -4.82 -11.59 2 4 0 58 445.791 5 ↓

Analogs

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Popular Name: [4-(2-oxopyrrolidin-1-yl)phenyl] [4-(2-oxopyrrolidin-1-yl)phenyl]

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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) 2.21 11.36 -15.96 0 6 0 67 396.468 6 ↓

Analogs

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Popular Name: N-(2-methyl-2-phenyl-propyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide N-(2-methyl-2-phenyl-propyl)-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) 3.76 9.94 -13.33 1 4 0 49 368.502 6 ↓

Analogs

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Popular Name: N-(4-hydroxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide N-(4-hydroxyphenyl)-2-(3-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) 2.30 4.59 -13.76 2 5 0 70 314.366 3 ↓

Analogs

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Popular Name: N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide N-[(2R)-2-(dimethylamino)-2-(3-m…

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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) 2.86 8.76 -48.34 2 6 1 63 400.524 7 ↓
Mid Mid (pH 6-8) 2.86 6.88 -13.96 1 6 0 62 399.516 7 ↓

Analogs

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Popular Name: N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide N-[(2S)-2-(dimethylamino)-2-(3-m…

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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) 2.86 8.78 -46.44 2 6 1 63 400.524 7 ↓
Mid Mid (pH 6-8) 2.86 6.24 -12.68 1 6 0 62 399.516 7 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-thienylmethyl)acetamide N-(2-methoxyethyl)-2-(3-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) 2.24 9.17 -13.37 0 5 0 50 376.503 7 ↓

Analogs

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Popular Name: N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide N-[2-(6-fluoro-4H-1,3-benzodioxi…

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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) 2.22 5.61 -16.29 2 6 0 77 388.42 4 ↓

Analogs

11532526
11532526

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Popular Name: 2-(3-chloro-9-oxo-7-thia-10-azabicyclo[4.4.0]deca-2,4,11-trien-8-yl)-N-[2-(1-phenylpyrazol-4-yl)ethy 2-(3-chloro-9-oxo-7-thia-10-azab…

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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) 2.84 -2.27 -16.06 2 6 0 76 426.929 6 ↓

Analogs

11532522
11532522

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Popular Name: 2-(3-chloro-9-oxo-7-thia-10-azabicyclo[4.4.0]deca-2,4,11-trien-8-yl)-N-[2-(1-phenylpyrazol-4-yl)ethy 2-(3-chloro-9-oxo-7-thia-10-azab…

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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) 2.84 -2.27 -16.22 2 6 0 76 426.929 6 ↓

Analogs

11535270
11535270

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Popular Name: N-[4-[[2-(3-chloro-9-oxo-7-thia-10-azabicyclo[4.4.0]deca-2,4,11-trien-8-yl)acetyl]aminomethyl]phenyl N-[4-[[2-(3-chloro-9-oxo-7-thia-…

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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) 2.93 -3.63 -15.18 3 7 0 100 455.923 6 ↓

Analogs

11535269
11535269

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Popular Name: N-[4-[[2-(3-chloro-9-oxo-7-thia-10-azabicyclo[4.4.0]deca-2,4,11-trien-8-yl)acetyl]aminomethyl]phenyl N-[4-[[2-(3-chloro-9-oxo-7-thia-…

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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) 2.93 -3.64 -14.8 3 7 0 100 455.923 6 ↓

Analogs

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Popular Name: 1H-pyrido[2,3-b][1,4]thiazin-2(3H)-one 1H-pyrido[2,3-b][1,4]thiazin-2(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) 0.63 1.64 -8.71 1 3 0 42 166.205 0 ↓
Lo Low (pH 4.5-6) 0.63 1.93 -36.95 2 3 1 43 167.213 0 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide N-[(1R)-1-(2-methoxyphenyl)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) 2.69 6.56 -13.4 2 5 0 67 356.447 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide N-[(1S)-1-(2-methoxyphenyl)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) 2.69 6.56 -13.48 2 5 0 67 356.447 5 ↓

Analogs

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Popular Name: N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide N-[(1R)-1-(2-methoxyphenyl)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) 2.69 6.55 -13.48 2 5 0 67 356.447 5 ↓

Analogs

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Popular Name: N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide N-[(1S)-1-(2-methoxyphenyl)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) 2.69 6.57 -13.48 2 5 0 67 356.447 5 ↓

Analogs

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Popular Name: N-[2-(morpholine-4-carbonyl)benzofuran-3-yl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide N-[2-(morpholine-4-carbonyl)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) 2.46 8.31 -14.22 1 8 0 92 465.531 5 ↓

Analogs

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Popular Name: 1-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-3-[3-oxo-4-(p-tolylmethyl)-1,4-benzothiazin-6-yl]urea 1-[(1R,2S,3S)-2,3-dimethylcycloh…

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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) 5.33 11.59 -11.84 2 5 0 61 437.609 4 ↓

Analogs

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Popular Name: 1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-3-[3-oxo-4-(p-tolylmethyl)-1,4-benzothiazin-6-yl]urea 1-[(1S,2S,3S)-2,3-dimethylcycloh…

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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) 5.33 11.77 -11.86 2 5 0 61 437.609 4 ↓

Analogs

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Popular Name: 1-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-3-[3-oxo-4-(p-tolylmethyl)-1,4-benzothiazin-6-yl]urea 1-[(1R,2S,3R)-2,3-dimethylcycloh…

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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) 5.33 12.41 -11.39 2 5 0 61 437.609 4 ↓

Analogs

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Popular Name: 1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[3-oxo-4-(p-tolylmethyl)-1,4-benzothiazin-6-yl]urea 1-[(1S,2S,3R)-2,3-dimethylcycloh…

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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) 5.33 12 -11.87 2 5 0 61 437.609 4 ↓

Analogs

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Popular Name: (2R)-N-[3-(2-furylmethoxy)propyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (2R)-N-[3-(2-furylmethoxy)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) 2.00 5.3 -14.23 2 6 0 81 360.435 7 ↓

Analogs

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Popular Name: (2S)-N-[3-(2-furylmethoxy)propyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (2S)-N-[3-(2-furylmethoxy)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) 2.00 5.25 -14.55 2 6 0 81 360.435 7 ↓

Analogs

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Popular Name: N-[2-methyl-2-[(3R)-3-methyl-1-piperidyl]propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide N-[2-methyl-2-[(3R)-3-methyl-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) 3.20 9.45 -41.17 2 5 1 54 376.546 5 ↓

Analogs

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Popular Name: N-[2-methyl-2-[(3S)-3-methyl-1-piperidyl]propyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide N-[2-methyl-2-[(3S)-3-methyl-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) 3.20 9.42 -43.75 2 5 1 54 376.546 5 ↓

Analogs

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Popular Name: N-cyclopropyl-N-(2-hydroxyethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide N-cyclopropyl-N-(2-hydroxyethyl)…

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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 2.56 -12.43 2 5 0 70 292.36 4 ↓

Analogs

11982241
11982241

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Popular Name: 3-chloro-8-(BLAHylcarbonylmethyl)-7-thia-10-azabicyclo[4.4.0]deca-2,4,11-trien-9-one 3-chloro-8-(BLAHylcarbonylmethyl…

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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) 3.45 -3.16 -14.03 2 5 0 65 411.914 2 ↓

Analogs

11982236
11982236

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Popular Name: 3-chloro-8-(BLAHylcarbonylmethyl)-7-thia-10-azabicyclo[4.4.0]deca-2,4,11-trien-9-one 3-chloro-8-(BLAHylcarbonylmethyl…

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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) 3.45 -3.16 -14.12 2 5 0 65 411.914 2 ↓

Analogs

25878765
25878765
25878769
25878769
25878774
25878774
25878778
25878778

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Popular Name: (2R)-2-methyl-3-oxo-N-(1-phenylcyclobutyl)-4H-1,4-benzothiazine-6-carboxamide (2R)-2-methyl-3-oxo-N-(1-phenylc…

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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) 3.22 8.39 -12.12 2 4 0 58 352.459 3 ↓

Analogs

25878765
25878765
25878769
25878769
25878774
25878774
25878778
25878778

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Popular Name: (2S)-2-methyl-3-oxo-N-(1-phenylcyclobutyl)-4H-1,4-benzothiazine-6-carboxamide (2S)-2-methyl-3-oxo-N-(1-phenylc…

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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) 3.22 8.26 -12.54 2 4 0 58 352.459 3 ↓

Analogs

11986827
11986827

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Popular Name: 2-[4-oxo-8-(trifluoromethyl)-2-thia-5-azabicyclo[4.4.0]deca-6,8,10-trien-3-yl]-N-(4,5,6,7-tetrahydro 2-[4-oxo-8-(trifluoromethyl)-2-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) 3.59 -1.62 -14.75 2 5 0 71 427.473 4 ↓

Analogs

11986825
11986825

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Popular Name: 2-[4-oxo-8-(trifluoromethyl)-2-thia-5-azabicyclo[4.4.0]deca-6,8,10-trien-3-yl]-N-(4,5,6,7-tetrahydro 2-[4-oxo-8-(trifluoromethyl)-2-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) 3.59 -1.62 -14.75 2 5 0 71 427.473 4 ↓

Analogs

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Popular Name: 6-(4-propylpiperazin-1-yl)sulfonyl-4H-1,4-benzothiazin-3-one 6-(4-propylpiperazin-1-yl)sulfon…

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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) 1.42 2.54 -10.53 1 6 0 70 355.485 4 ↓

Analogs

15677243
15677243

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Popular Name: 6-(4-ethylpiperazin-1-yl)sulfonyl-4H-1,4-benzothiazin-3-one 6-(4-ethylpiperazin-1-yl)sulfony…

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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) 0.92 1.79 -10.65 1 6 0 70 341.458 3 ↓
Mid Mid (pH 6-8) 0.92 4.03 -49.07 2 6 1 71 342.466 3 ↓

Analogs

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Popular Name: 6-(oxoBLAHyl)sulfonyl-4H-1,4-benzothiazin-3-one 6-(oxoBLAHyl)sulfonyl-4H-1,4-ben…

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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) 1.17 5.39 -27.02 1 7 0 88 417.512 2 ↓

Analogs

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Popular Name: (2S)-2-methyl-6-(4-propylpiperazin-1-yl)sulfonyl-4H-1,4-benzothiazin-3-one (2S)-2-methyl-6-(4-propylpiperaz…

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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) 1.78 3.2 -10.24 1 6 0 70 369.512 4 ↓
Mid Mid (pH 6-8) 1.78 5.43 -50.1 2 6 1 71 370.52 4 ↓

Analogs

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Popular Name: (2R)-2-methyl-6-(4-propylpiperazin-1-yl)sulfonyl-4H-1,4-benzothiazin-3-one (2R)-2-methyl-6-(4-propylpiperaz…

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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) 1.78 3.25 -9.82 1 6 0 70 369.512 4 ↓
Mid Mid (pH 6-8) 1.78 5.49 -49.3 2 6 1 71 370.52 4 ↓

Parameters Provided:

ring.id = 3308
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 = 3308 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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