UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[(5-bromo-2-thienyl)sulfonylamino]-N-(4-methylsulfanylphenyl)-benzamide 4-[(5-bromo-2-thienyl)sulfonylam…

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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) 4.91 -6.51 -16.03 2 5 0 75 483.434 6 ↓
Hi High (pH 8-9.5) 4.91 -5.93 -42.22 1 5 -1 77 482.426 6 ↓

Analogs

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Popular Name: N-[3-(methyl-methylsulfonyl-amino)phenyl]-4-(methyl-(2-thienylsulfonyl)amino)benzamide N-[3-(methyl-methylsulfonyl-amin…

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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) 3.24 4.83 -23.67 1 8 0 104 479.605 7 ↓

Analogs

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Popular Name: N-(2,3-dichlorophenyl)-4-(2-thienylsulfonylamino)benzamide N-(2,3-dichlorophenyl)-4-(2-thie…

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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) 4.80 6.4 -13.54 2 5 0 75 427.334 5 ↓
Hi High (pH 8-9.5) 4.80 6.49 -43.01 1 5 -1 77 426.326 5 ↓

Analogs

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Popular Name: N-(2-isopropyl-6-methyl-phenyl)-4-(2-thienylsulfonylamino)benzamide N-(2-isopropyl-6-methyl-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) 4.00 8.16 -15.59 2 5 0 75 414.552 6 ↓
Hi High (pH 8-9.5) 4.00 8.26 -46.06 1 5 -1 77 413.544 6 ↓

Analogs

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Popular Name: butyl butyl

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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) 5.15 8.46 -18.51 2 7 0 102 458.561 10 ↓
Hi High (pH 8-9.5) 5.15 8.54 -46.75 1 7 -1 104 457.553 10 ↓

Analogs

25268353
25268353

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Popular Name: N-(2-methylsulfanylphenyl)-4-(2-thienylsulfonylamino)benzamide N-(2-methylsulfanylphenyl)-4-(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) 3.93 6.42 -15.33 2 5 0 75 404.538 6 ↓
Hi High (pH 8-9.5) 3.93 6.5 -46.35 1 5 -1 77 403.53 6 ↓

Analogs

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Popular Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(methyl-(2-thienylsulfonyl)amino)benzamide N-(4-chloro-2,5-dimethoxy-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) 4.43 6.05 -15.2 1 7 0 85 466.968 7 ↓

Analogs

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Popular Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-thienylsulfonylamino)benzamide N-[4-chloro-3-(trifluoromethyl)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) 5.04 6.72 -15.67 2 5 0 75 460.886 6 ↓
Hi High (pH 8-9.5) 5.04 6.8 -43.65 1 5 -1 77 459.878 6 ↓

Analogs

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Popular Name: 4-(methyl-(2-thienylsulfonyl)amino)-N-[2-(trifluoromethyl)phenyl]benzamide 4-(methyl-(2-thienylsulfonyl)ami…

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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) 4.63 8.06 -13.91 1 5 0 66 440.468 6 ↓

Analogs

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Popular Name: N-(3-methoxypropyl)-2-[[4-(2-thienylsulfonylamino)benzoyl]amino]benzamide N-(3-methoxypropyl)-2-[[4-(2-thi…

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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) 2.94 4.8 -18.48 3 8 0 114 473.576 10 ↓
Hi High (pH 8-9.5) 2.94 4.89 -51.9 2 8 -1 116 472.568 10 ↓

Analogs

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Popular Name: N-(2-methoxy-5-nitro-phenyl)-4-(2-thienylsulfonylamino)benzamide N-(2-methoxy-5-nitro-phenyl)-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) 3.49 5.41 -22.51 2 9 0 130 433.467 7 ↓
Hi High (pH 8-9.5) 3.49 5.5 -52.67 1 9 -1 132 432.459 7 ↓

Analogs

25082707
25082707
25388395
25388395
10009681
10009681

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Popular Name: N-(m-tolyl)-4-(2-thienylsulfonylamino)benzamide N-(m-tolyl)-4-(2-thienylsulfonyl…

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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) 3.97 5.98 -16.86 2 5 0 75 372.471 5 ↓
Hi High (pH 8-9.5) 3.97 6.07 -47.09 1 5 -1 77 371.463 5 ↓

Analogs

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Popular Name: N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(methyl-(2-thienylsulfonyl)amino)benzamide N-[4-chloro-2-(trifluoromethyl)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) 5.29 8.57 -12.22 1 5 0 66 474.913 6 ↓

Analogs

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Popular Name: N-(2-ethylphenyl)-4-(2-thienylsulfonylamino)benzamide N-(2-ethylphenyl)-4-(2-thienylsu…

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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) 4.41 6.97 -16.1 2 5 0 75 386.498 6 ↓
Hi High (pH 8-9.5) 4.41 7.05 -46.02 1 5 -1 77 385.49 6 ↓

Analogs

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Popular Name: N-(2-methoxyphenyl)-4-(methyl-(2-thienylsulfonyl)amino)benzamide N-(2-methoxyphenyl)-4-(methyl-(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) 3.80 6.21 -15.23 1 6 0 76 402.497 6 ↓

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-4-(methyl-(2-thienylsulfonyl)amino)benzamide N-(3-chloro-4-methoxy-phenyl)-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) 4.45 6.62 -17.96 1 6 0 76 436.942 6 ↓

Analogs

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Popular Name: N-butyl-2-[[4-(methyl-(2-thienylsulfonyl)amino)benzoyl]amino]benzamide N-butyl-2-[[4-(methyl-(2-thienyl…

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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) 4.37 7.95 -18.12 2 7 0 96 471.604 9 ↓

Analogs

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Popular Name: N-(3,5-dichlorophenyl)-4-(methyl-(2-thienylsulfonyl)amino)benzamide N-(3,5-dichlorophenyl)-4-(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) 5.07 7.8 -13.76 1 5 0 66 441.361 5 ↓

Analogs

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Popular Name: N-(2-fluorophenyl)-4-(methyl-(2-thienylsulfonyl)amino)benzamide N-(2-fluorophenyl)-4-(methyl-(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) 3.90 6.88 -14.22 1 5 0 66 390.461 5 ↓

Analogs

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Popular Name: N-(2,6-diethylphenyl)-4-(methyl-(2-thienylsulfonyl)amino)benzamide N-(2,6-diethylphenyl)-4-(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) 4.58 9.74 -14.59 1 5 0 66 428.579 7 ↓

Analogs

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Popular Name: 4-(2-thienylsulfonylamino)-N-(2,4,5-trichlorophenyl)benzamide 4-(2-thienylsulfonylamino)-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) 5.43 7.02 -11.64 2 5 0 75 461.779 5 ↓
Hi High (pH 8-9.5) 5.43 7.11 -39.14 1 5 -1 77 460.771 5 ↓

Analogs

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Popular Name: N-(2-isopropylphenyl)-4-(methyl-(2-thienylsulfonyl)amino)benzamide N-(2-isopropylphenyl)-4-(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) 4.78 8.92 -14.4 1 5 0 66 414.552 6 ↓

Analogs

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Popular Name: N-[3-(methyl-methylsulfonyl-amino)phenyl]-4-(2-thienylsulfonylamino)benzamide N-[3-(methyl-methylsulfonyl-amin…

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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) 3.00 3.41 -25.03 2 8 0 113 465.578 7 ↓
Hi High (pH 8-9.5) 3.00 3.5 -55.59 1 8 -1 115 464.57 7 ↓

Analogs

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Popular Name: N-(2,5-dichlorophenyl)-4-(methyl-(2-thienylsulfonyl)amino)benzamide N-(2,5-dichlorophenyl)-4-(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) 5.07 7.93 -13.42 1 5 0 66 441.361 5 ↓

Analogs

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Popular Name: 4-[[4-(2-thienylsulfonylamino)benzoyl]amino]benzoic 4-[[4-(2-thienylsulfonylamino)be…

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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 4.94 -64.11 2 7 -1 115 401.445 6 ↓
Hi High (pH 8-9.5) 3.45 5.02 -99.2 1 7 -2 117 400.437 6 ↓

Analogs

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Popular Name: N-(4-iodo-2-methyl-phenyl)-4-(2-thienylsulfonylamino)benzamide N-(4-iodo-2-methyl-phenyl)-4-(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) 5.00 7.24 -16.12 2 5 0 75 498.367 5 ↓
Hi High (pH 8-9.5) 5.00 7.31 -44.85 1 5 -1 77 497.359 5 ↓

Analogs

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Popular Name: N-[4-(diethylsulfamoyl)phenyl]-4-(2-thienylsulfonylamino)benzamide N-[4-(diethylsulfamoyl)phenyl]-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) 3.61 5.02 -23.05 2 8 0 113 493.632 9 ↓
Hi High (pH 8-9.5) 3.61 5.09 -51.34 1 8 -1 115 492.624 9 ↓

Analogs

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Popular Name: N-(3-chloro-2-methyl-phenyl)-4-(methyl-(2-thienylsulfonyl)amino)benzamide N-(3-chloro-2-methyl-phenyl)-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) 4.82 8.07 -13.85 1 5 0 66 420.943 5 ↓

Analogs

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Popular Name: N-(2-methoxy-5-methyl-phenyl)-4-(methyl-(2-thienylsulfonyl)amino)benzamide N-(2-methoxy-5-methyl-phenyl)-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) 4.22 6.86 -15.45 1 6 0 76 416.524 6 ↓

Analogs

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Popular Name: N-[4-(cyanomethyl)phenyl]-4-(2-thienylsulfonylamino)benzamide N-[4-(cyanomethyl)phenyl]-4-(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) 3.51 6.48 -23.23 2 6 0 99 397.481 6 ↓
Hi High (pH 8-9.5) 3.51 6.57 -53.34 1 6 -1 101 396.473 6 ↓

Analogs

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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) 3.98 6.36 -22.09 2 7 0 102 450.925 7 ↓
Hi High (pH 8-9.5) 3.98 6.45 -50.16 1 7 -1 104 449.917 7 ↓

Analogs

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Popular Name: N-[2-(allylcarbamoyl)phenyl]-4-(methyl-(2-thienylsulfonyl)amino)benzamide N-[2-(allylcarbamoyl)phenyl]-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) 3.58 6.94 -18.21 2 7 0 96 455.561 8 ↓

Analogs

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Popular Name: N-(2-bromophenyl)-4-(methyl-(2-thienylsulfonyl)amino)benzamide N-(2-bromophenyl)-4-(methyl-(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) 4.55 7.55 -13.55 1 5 0 66 451.367 5 ↓

Analogs

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Popular Name: N-(3-acetamidophenyl)-4-(methyl-(2-thienylsulfonyl)amino)benzamide N-(3-acetamidophenyl)-4-(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) 2.98 5.67 -20.25 2 7 0 96 429.523 6 ↓

Analogs

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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) 4.09 7.8 -16.23 1 7 0 93 430.507 7 ↓

Analogs

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Popular Name: N-tert-butyl-2-[[4-(methyl-(2-thienylsulfonyl)amino)benzoyl]amino]benzamide N-tert-butyl-2-[[4-(methyl-(2-th…

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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 7.73 -17.53 2 7 0 96 471.604 7 ↓

Analogs

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Popular Name: N-(3-isopropoxyphenyl)-4-(methyl-(2-thienylsulfonyl)amino)benzamide N-(3-isopropoxyphenyl)-4-(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) 4.56 7.67 -18.11 1 6 0 76 430.551 7 ↓

Analogs

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Popular Name: N-(2-isopropyl-6-methyl-phenyl)-4-(methyl-(2-thienylsulfonyl)amino)benzamide N-(2-isopropyl-6-methyl-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) 4.24 9.64 -14.34 1 5 0 66 428.579 6 ↓

Analogs

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Popular Name: N-(2-ethoxyphenyl)-4-(methyl-(2-thienylsulfonyl)amino)benzamide N-(2-ethoxyphenyl)-4-(methyl-(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) 4.17 7.13 -14.88 1 6 0 76 416.524 7 ↓

Analogs

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Popular Name: N-isopropyl-2-[[4-(2-thienylsulfonylamino)benzoyl]amino]benzamide N-isopropyl-2-[[4-(2-thienylsulf…

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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 5.8 -17.67 3 7 0 104 443.55 7 ↓
Hi High (pH 8-9.5) 3.36 5.89 -51.84 2 7 -1 106 442.542 7 ↓

Analogs

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Popular Name: N-(2-methyl-5-nitro-phenyl)-4-(methyl-(2-thienylsulfonyl)amino)benzamide N-(2-methyl-5-nitro-phenyl)-4-(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) 4.12 8.3 -22.04 1 8 0 112 431.495 6 ↓

Analogs

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Popular Name: 4-(methyl-(2-thienylsulfonyl)amino)-N-(p-tolyl)benzamide 4-(methyl-(2-thienylsulfonyl)ami…

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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) 4.24 7.43 -15.25 1 5 0 66 386.498 5 ↓

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Popular Name: N-(2,6-difluorophenyl)-4-(methyl-(2-thienylsulfonyl)amino)benzamide N-(2,6-difluorophenyl)-4-(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) 4.02 7 -17.55 1 5 0 66 408.451 5 ↓

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Popular Name: N-(2,3-dichlorophenyl)-4-(methyl-(2-thienylsulfonyl)amino)benzamide N-(2,3-dichlorophenyl)-4-(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) 5.05 7.88 -13.16 1 5 0 66 441.361 5 ↓

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Popular Name: N-(2-bromophenyl)-4-(2-thienylsulfonylamino)benzamide N-(2-bromophenyl)-4-(2-thienylsu…

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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) 4.30 6.07 -13.79 2 5 0 75 437.34 5 ↓
Hi High (pH 8-9.5) 4.30 6.16 -43.88 1 5 -1 77 436.332 5 ↓

Analogs

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Popular Name: N-(2-methylsulfanylphenyl)-4-(methyl-(2-thienylsulfonyl)amino)benzamide N-(2-methylsulfanylphenyl)-4-(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) 4.17 7.92 -14.9 1 5 0 66 418.565 6 ↓

Analogs

15421259
15421259
25388395
25388395
6784535
6784535

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Popular Name: N-(4-ethylphenyl)-4-(2-thienylsulfonylamino)benzamide N-(4-ethylphenyl)-4-(2-thienylsu…

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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) 4.46 6.75 -16.62 2 5 0 75 386.498 6 ↓
Hi High (pH 8-9.5) 4.46 6.84 -46.75 1 5 -1 77 385.49 6 ↓

Analogs

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Popular Name: N-isobutyl-2-[[4-(2-thienylsulfonylamino)benzoyl]amino]benzamide N-isobutyl-2-[[4-(2-thienylsulfo…

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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) 3.81 6.49 -17.42 3 7 0 104 457.577 8 ↓
Hi High (pH 8-9.5) 3.81 6.58 -51.45 2 7 -1 106 456.569 8 ↓

Analogs

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Popular Name: N-(2-methyl-3-nitro-phenyl)-4-(methyl-(2-thienylsulfonyl)amino)benzamide N-(2-methyl-3-nitro-phenyl)-4-(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) 4.10 8.15 -15.56 1 8 0 112 431.495 6 ↓

Analogs

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Popular Name: N-(2-isopropylphenyl)-4-(2-thienylsulfonylamino)benzamide N-(2-isopropylphenyl)-4-(2-thien…

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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) 4.53 7.56 -13.47 2 5 0 75 400.525 6 ↓
Hi High (pH 8-9.5) 4.53 7.65 -42.7 1 5 -1 77 399.517 6 ↓

Parameters Provided:

ring.id = 85871
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 = 85871 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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