UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

57815639
57815639
57815666
57815666

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Popular Name: 3-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-prop-2-en-1-one 3-[4-(difluoromethoxy)phenyl]-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) 4.59 4.01 -9.4 0 2 0 26 292.256 5 ↓

Analogs

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Popular Name: 1-[4-[(E)-3-(4-hydroxy-3-nitro-phenyl)prop-2-enoyl]phenyl]-3-isopropyl-urea 1-[4-[(E)-3-(4-hydroxy-3-nitro-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) 3.66 7.22 -24.41 3 8 0 124 369.377 6 ↓
Mid Mid (pH 6-8) 3.66 8.23 -52.6 2 8 -1 127 368.369 6 ↓

Analogs

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Popular Name: 1-(4-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]propane-1,3-dione 1-(4-hydroxyphenyl)-3-[3-(triflu…

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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 5.44 -11.73 1 3 0 60 307.247 4 ↓
Hi High (pH 8-9.5) 4.46 6.21 -39.84 0 3 0 63 306.239 4 ↓
Mid Mid (pH 6-8) 3.27 8.27 -22.27 1 3 0 54 308.255 5 ↓

Analogs

32118411
32118411
32141944
32141944
6432931
6432931
4582722
4582722

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Popular Name: (E)-3-(2-chlorophenyl)-1-(2,4-dimethylphenyl)prop-2-en-1-one (E)-3-(2-chlorophenyl)-1-(2,4-di…

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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) 5.09 11.02 -8.75 0 1 0 17 270.759 3 ↓

Analogs

34878562
34878562

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Popular Name: (E)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)-1-(4-hydroxy-3-methoxy-phenyl)prop-2-en-1-one (E)-3-(4-hydroxy-3-methoxy-5-nit…

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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) 2.61 4.92 -15.15 2 8 0 122 345.307 6 ↓
Hi High (pH 8-9.5) 2.61 6.91 -95.69 0 8 -2 127 343.291 6 ↓

Analogs

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Popular Name: (E)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one (E)-3-(4-hydroxy-3-methoxy-5-nit…

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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) 2.76 4.91 -14.28 2 7 0 113 315.281 5 ↓

Analogs

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Popular Name: (E)-1-(4-dimethylaminophenyl)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-en-1-one (E)-1-(4-dimethylaminophenyl)-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) 3.37 8.21 -12.75 1 7 0 96 342.351 6 ↓

Analogs

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Popular Name: 2-[4-[(E)-3-(4-hydroxy-3-nitro-phenyl)prop-2-enoyl]phenoxy]acetic 2-[4-[(E)-3-(4-hydroxy-3-nitro-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) 2.78 8.86 -54.54 1 8 -1 132 342.283 7 ↓

Analogs

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Popular Name: 4-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]benzonitrile 4-[(E)-3-(3-hydroxyphenyl)prop-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) 3.06 6.74 -13.87 1 3 0 61 249.269 3 ↓

Analogs

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Popular Name: (E)-3-(3-chloro-5-ethoxy-4-propoxy-phenyl)-1-(4-hydroxy-3-methoxy-phenyl)prop-2-en-1-one (E)-3-(3-chloro-5-ethoxy-4-propo…

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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) 4.86 8.92 -11.8 1 5 0 65 390.863 9 ↓

Analogs

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Popular Name: (E)-1-[3-(2-chloroethyl)-4-hydroxy-phenyl]-3-(3-chlorophenyl)prop-2-en-1-one (E)-1-[3-(2-chloroethyl)-4-hydro…

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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) 5.17 9.03 -9.74 1 2 0 37 321.203 5 ↓

Analogs

58732471
58732471
58732475
58732475
58732479
58732479

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Popular Name: 2-[2-fluoro-4-[(E)-3-phenylprop-2-enoyl]phenyl]sulfanylacetic 2-[2-fluoro-4-[(E)-3-phenylprop-…

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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 10.17 -48.18 0 3 -1 57 315.345 6 ↓

Analogs

13017017
13017017
12946979
12946979

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Popular Name: (E)-1-[3-(2-chloroethyl)-4-hydroxy-phenyl]-3-(4-ethylphenyl)prop-2-en-1-one (E)-1-[3-(2-chloroethyl)-4-hydro…

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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 9.95 -8.58 1 2 0 37 314.812 6 ↓

Analogs

12980720
12980720

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Popular Name: (E)-1-[3-(2-chloroethyl)-4-hydroxy-phenyl]-3-(2,4-dimethylphenyl)prop-2-en-1-one (E)-1-[3-(2-chloroethyl)-4-hydro…

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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) 5.16 9.71 -8.74 1 2 0 37 314.812 5 ↓

Analogs

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Popular Name: (E)-3-(3-bromophenyl)-1-[3-(2-chloroethyl)-4-hydroxy-phenyl]prop-2-en-1-one (E)-3-(3-bromophenyl)-1-[3-(2-ch…

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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) 5.30 9.14 -9.76 1 2 0 37 365.654 5 ↓

Analogs

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Popular Name: (E)-3-(3-bromo-5-methoxy-4-propoxy-phenyl)-1-[3-(2-chloroethyl)-4-hydroxy-phenyl]prop-2-en-1-one (E)-3-(3-bromo-5-methoxy-4-propo…

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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) 5.97 10.24 -10.46 1 4 0 56 453.76 9 ↓

Analogs

12977434
12977434

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Popular Name: (E)-3-(3-bromo-4,5-diethoxy-phenyl)-1-[3-(2-chloroethyl)-4-hydroxy-phenyl]prop-2-en-1-one (E)-3-(3-bromo-4,5-diethoxy-phen…

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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) 5.85 10.36 -10.37 1 4 0 56 453.76 9 ↓

Analogs

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Popular Name: 3-[[3-[(E)-3-(2-chlorophenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(2-chlorophenyl)pro…

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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 6.43 -62.83 1 6 -1 103 392.84 8 ↓

Analogs

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Popular Name: 3-[[3-[(E)-3-(3-nitrophenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(3-nitrophenyl)prop…

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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) 2.31 6.67 -66.7 1 9 -1 149 403.392 9 ↓

Analogs

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Popular Name: 3-[[3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(4-nitrophenyl)prop…

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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 6.67 -62.1 1 9 -1 149 403.392 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[3-[(E)-3-(4-bromophenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(4-bromophenyl)prop…

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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) 3.18 6.62 -58.94 1 6 -1 103 437.291 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[3-[(E)-3-(3-bromophenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(3-bromophenyl)prop…

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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 6.63 -60.6 1 6 -1 103 437.291 8 ↓

Analogs

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Popular Name: 3-[[3-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(2,4-dichlorophenyl…

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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 6.95 -61.46 1 6 -1 103 427.285 8 ↓

Analogs

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Popular Name: 3-[[3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-[4-(trifluoromethyl…

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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 7 -59.48 1 6 -1 103 426.392 9 ↓

Analogs

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Popular Name: 3-[[3-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(2,3-dichlorophenyl…

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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 6.89 -56.68 1 6 -1 103 427.285 8 ↓

Analogs

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Popular Name: 3-[[3-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(3,4-dichlorophenyl…

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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) 3.66 6.97 -57.88 1 6 -1 103 427.285 8 ↓

Analogs

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Popular Name: 3-[[3-[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-[4-(difluoromethoxy…

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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) 2.99 5.58 -61.4 1 7 -1 113 424.401 10 ↓

Analogs

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Popular Name: 3-[[3-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-[2-(trifluoromethyl…

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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) 3.04 6.82 -65.72 1 6 -1 103 426.392 9 ↓

Analogs

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Popular Name: 3-[[3-[(E)-3-(2-iodophenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(2-iodophenyl)prop-…

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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) 3.23 6.95 -62.47 1 6 -1 103 484.291 8 ↓

Analogs

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Popular Name: 3-[[3-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-[3-(trifluoromethyl…

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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 7.02 -61.77 1 6 -1 103 426.392 9 ↓

Analogs

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Popular Name: 3-[[3-[(E)-3-(3-fluorophenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(3-fluorophenyl)pro…

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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 6.06 -61.35 1 6 -1 103 376.385 8 ↓

Analogs

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Popular Name: 3-[[3-[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(3-hydroxyphenyl)pr…

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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 3.15 -62.11 2 7 -1 124 374.394 8 ↓

Analogs

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Popular Name: 3-[[3-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(2-methoxyphenyl)pr…

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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) 2.20 5.36 -63.91 1 7 -1 113 388.421 9 ↓

Analogs

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Popular Name: 3-[[3-[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(5-bromo-2-methoxy-…

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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) 2.99 6 -61.17 1 7 -1 113 467.317 9 ↓

Analogs

13060202
13060202

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Popular Name: 3-[[3-[(E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(3-bromo-4-hydroxy-…

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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) 2.68 3.82 -59.96 2 8 -1 133 483.316 9 ↓

Analogs

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Popular Name: 3-[[3-[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(4-chloro-3-nitro-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) 2.94 7.06 -66.2 1 9 -1 149 437.837 9 ↓

Analogs

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Popular Name: 3-[[3-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(4-methylsulfanylph…

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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) 2.81 7.01 -60.58 1 6 -1 103 404.489 9 ↓

Analogs

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Popular Name: 3-[[3-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(2,6-dichlorophenyl…

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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 6.91 -59.33 1 6 -1 103 427.285 8 ↓

Analogs

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Popular Name: 3-[[3-[(E)-3-(m-tolyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(m-tolyl)prop-2-eno…

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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) 2.80 6.67 -59.79 1 6 -1 103 372.422 8 ↓

Analogs

13060173
13060173
13060196
13060196

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Popular Name: 3-[[3-[(E)-3-(4-ethylphenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(4-ethylphenyl)prop…

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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) 3.29 7.45 -59.5 1 6 -1 103 386.449 9 ↓

Analogs

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Popular Name: 3-[[3-[(E)-3-(2-bromophenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(2-bromophenyl)prop…

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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 6.51 -62.78 1 6 -1 103 437.291 8 ↓

Analogs

13060184
13060184

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Popular Name: 3-[[3-[(E)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(3-hydroxy-4-methox…

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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) 1.71 3.16 -63.66 2 8 -1 133 404.42 9 ↓

Analogs

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Popular Name: 3-[[3-[(E)-3-(4-methoxycarbonylphenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(4-methoxycarbonylp…

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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) 2.54 6.66 -62.78 1 8 -1 130 416.431 10 ↓

Analogs

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Popular Name: 3-[[3-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(2,5-dimethylphenyl…

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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 7.19 -59.56 1 6 -1 103 386.449 8 ↓

Analogs

13060190
13060190

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Popular Name: 3-[[3-[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(4-tert-butylphenyl…

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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 8.33 -59.27 1 6 -1 103 414.503 9 ↓

Analogs

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Popular Name: 3-[[3-[(E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(3-ethoxy-4-methoxy…

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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) 2.40 6.15 -63.07 1 8 -1 122 432.474 11 ↓

Analogs

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Popular Name: 3-[[3-[(E)-3-(4-methyl-3-nitro-phenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(4-methyl-3-nitro-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) 2.71 7.18 -66.71 1 9 -1 149 417.419 9 ↓

Analogs

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Popular Name: 3-[[3-[(E)-3-(4-ethyl-3-nitro-phenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(4-ethyl-3-nitro-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) 3.17 7.83 -66.79 1 9 -1 149 431.446 10 ↓

Analogs

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Popular Name: 3-[[3-[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(5-bromo-2-fluoro-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) 3.09 6.67 -53.84 1 6 -1 103 455.281 8 ↓

Analogs

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Popular Name: 3-[[3-[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic 3-[[3-[(E)-3-(3,5-dimethoxypheny…

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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) 2.41 4.6 -61.06 1 8 -1 122 418.447 10 ↓

Parameters Provided:

ring.id = 6244
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 = 6244 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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