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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-ethyl-N-(m-tolyl)-1H-indole-3-carboxamide N-ethyl-N-(m-tolyl)-1H-indole-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) 4.02 8.96 -15.77 1 3 0 36 278.355 3 ↓

Analogs

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Popular Name: N-(2,3-dimethyl-5-sulfamoyl-phenyl)-1-ethyl-indole-3-carboxamide N-(2,3-dimethyl-5-sulfamoyl-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) 2.87 5.45 -23 3 6 0 94 371.462 4 ↓

Analogs

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Popular Name: N,1-dimethyl-N-phenyl-indole-3-carboxamide N,1-dimethyl-N-phenyl-indole-3-c…

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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 9.13 -17.12 0 3 0 25 264.328 2 ↓

Analogs

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Popular Name: N-(2-methoxyphenyl)-1-methyl-indole-3-carboxamide N-(2-methoxyphenyl)-1-methyl-ind…

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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 7.59 -15.11 1 4 0 43 280.327 3 ↓

Analogs

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Popular Name: N-(4-ethoxyphenyl)-1-methyl-indole-3-carboxamide N-(4-ethoxyphenyl)-1-methyl-indo…

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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 8.34 -18.18 1 4 0 43 294.354 4 ↓

Analogs

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Popular Name: 1-methyl-N-(4-methyl-3-nitro-phenyl)indole-3-carboxamide 1-methyl-N-(4-methyl-3-nitro-phe…

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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) 3.38 9.32 -27.59 1 6 0 80 309.325 3 ↓

Analogs

12915688
12915688

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Popular Name: N-(4-bromo-2,6-dimethyl-phenyl)-1H-indole-3-carboxamide N-(4-bromo-2,6-dimethyl-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) 3.60 8.96 -14.74 2 3 0 45 343.224 2 ↓

Analogs

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Popular Name: N-(2-cyano-3-fluoro-phenyl)-1H-indole-3-carboxamide N-(2-cyano-3-fluoro-phenyl)-1H-i…

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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 6.98 -12.32 2 4 0 69 279.274 2 ↓

Analogs

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Popular Name: N-(2,4,6-tribromophenyl)-1H-indole-3-carboxamide N-(2,4,6-tribromophenyl)-1H-indo…

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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) 5.26 8.8 -12.7 2 3 0 45 472.962 2 ↓

Analogs

35134607
35134607

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Popular Name: N-(2,4,6-trichlorophenyl)-1H-indole-3-carboxamide N-(2,4,6-trichlorophenyl)-1H-ind…

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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 8.39 -13.2 2 3 0 45 339.609 2 ↓

Analogs

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Popular Name: N-(4-bromo-2,6-dichloro-phenyl)-1H-indole-3-carboxamide N-(4-bromo-2,6-dichloro-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) 5.00 8.5 -13.12 2 3 0 45 384.06 2 ↓

Analogs

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Popular Name: N-(3-fluoro-4-methoxy-phenyl)-1H-indole-3-carboxamide N-(3-fluoro-4-methoxy-phenyl)-1H…

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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) 3.13 5.86 -20.96 2 4 0 54 284.29 3 ↓

Analogs

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Popular Name: N-(4-isopropylphenyl)-1-methyl-indole-3-carboxamide N-(4-isopropylphenyl)-1-methyl-i…

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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 10.05 -17.36 1 3 0 34 292.382 3 ↓

Analogs

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Popular Name: N-(5-bromo-2-fluoro-phenyl)-1H-indole-3-carboxamide N-(5-bromo-2-fluoro-phenyl)-1H-i…

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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) 3.88 7.23 -13.39 2 3 0 45 333.16 2 ↓

Analogs

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Popular Name: N-[3-(butanoylamino)-2-methyl-phenyl]-2-methyl-1H-indole-3-carboxamide N-[3-(butanoylamino)-2-methyl-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) 4.17 8.58 -17.01 3 5 0 74 349.434 5 ↓

Analogs

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Popular Name: N-(2,5-dimethoxyphenyl)-1-methyl-indole-3-carboxamide N-(2,5-dimethoxyphenyl)-1-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) 3.09 6.87 -18.12 1 5 0 53 310.353 4 ↓

Analogs

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Popular Name: N-[4-(cyanomethyl)phenyl]-1-methyl-indole-3-carboxamide N-[4-(cyanomethyl)phenyl]-1-meth…

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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) 3.01 9.35 -21.91 1 4 0 58 289.338 3 ↓

Analogs

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Popular Name: 2-methoxyethyl 2-methoxyethyl

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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) 2.90 5.4 -15.42 3 7 0 92 367.405 7 ↓

Analogs

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Popular Name: N-(4-methanesulfonamidophenyl)-2-methyl-1H-indole-3-carboxamide N-(4-methanesulfonamidophenyl)-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) 2.43 3.62 -25.13 3 6 0 91 343.408 4 ↓
Hi High (pH 8-9.5) 2.43 3.69 -54.88 2 6 -1 93 342.4 4 ↓

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) 2.35 6.94 -17.87 3 7 0 100 379.416 7 ↓

Analogs

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Popular Name: N-[4-(difluoromethoxy)-3-fluoro-phenyl]-2-methyl-1H-indole-3-carboxamide N-[4-(difluoromethoxy)-3-fluoro-…

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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) 3.91 6.66 -14.45 2 4 0 54 334.297 4 ↓

Analogs

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Popular Name: N-[4-(ethylsulfonylamino)phenyl]-2-methyl-1H-indole-3-carboxamide N-[4-(ethylsulfonylamino)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) 2.81 4.7 -50.52 2 6 -1 93 356.427 5 ↓
Lo Low (pH 4.5-6) 2.81 4.61 -16.36 3 6 0 91 357.435 5 ↓

Analogs

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Popular Name: N-(4-Chlorophenyl)-1H-indole-3-carboxamide N-(4-Chlorophenyl)-1H-indole-3-c…

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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 7.02 -15.1 2 3 0 45 270.719 2 ↓

Analogs

37011365
37011365

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Popular Name: N-(3,4-difluorophenyl)-1H-indole-3-carboxamide N-(3,4-difluorophenyl)-1H-indole…

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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 6.61 -19.09 2 3 0 45 272.254 2 ↓

Analogs

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Popular Name: N-(3,4-dimethoxyphenyl)-1-methyl-indole-3-carboxamide N-(3,4-dimethoxyphenyl)-1-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) 2.69 7.38 -18 1 5 0 53 310.353 4 ↓

Analogs

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Popular Name: N-(3-ethylphenyl)-1-methyl-indole-3-carboxamide N-(3-ethylphenyl)-1-methyl-indol…

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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) 3.94 9.63 -15.2 1 3 0 34 278.355 3 ↓

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-1-methyl-indole-3-carboxamide N-(3-chloro-4-methoxy-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) 3.71 8.04 -19.07 1 4 0 43 314.772 3 ↓

Analogs

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Popular Name: N-[3-chloro-4-(difluoromethoxy)phenyl]-1-methyl-indole-3-carboxamide N-[3-chloro-4-(difluoromethoxy)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) 4.27 8.31 -18.17 1 4 0 43 350.752 4 ↓

Analogs

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Popular Name: 5-amino-N-phenyl-1H-indole-3-carboxamide 5-amino-N-phenyl-1H-indole-3-car…

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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) 2.03 4.37 -16.81 4 4 0 71 251.289 2 ↓

Analogs

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Popular Name: 5-amino-N-methyl-N-phenyl-1H-indole-3-carboxamide 5-amino-N-methyl-N-phenyl-1H-ind…

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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) 2.27 5.39 -17.7 3 4 0 62 265.316 2 ↓

Analogs

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Popular Name: 5-amino-N-(2,5-dimethylphenyl)-1H-indole-3-carboxamide 5-amino-N-(2,5-dimethylphenyl)-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) 2.86 5.89 -16.83 4 4 0 71 279.343 2 ↓

Analogs

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Popular Name: 5-amino-N-ethyl-N-phenyl-1H-indole-3-carboxamide 5-amino-N-ethyl-N-phenyl-1H-indo…

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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) 2.65 6.16 -16.83 3 4 0 62 279.343 3 ↓

Analogs

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Popular Name: 5-amino-N-(m-tolyl)-1H-indole-3-carboxamide 5-amino-N-(m-tolyl)-1H-indole-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) 2.46 5.03 -16.69 4 4 0 71 265.316 2 ↓

Analogs

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Popular Name: 5-amino-N-(3-methoxyphenyl)-1H-indole-3-carboxamide 5-amino-N-(3-methoxyphenyl)-1H-i…

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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) 2.06 3.67 -20.4 4 5 0 80 281.315 3 ↓

Analogs

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Popular Name: 5-amino-N-(2,3-dimethylphenyl)-1H-indole-3-carboxamide 5-amino-N-(2,3-dimethylphenyl)-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) 2.83 5.77 -16.9 4 4 0 71 279.343 2 ↓

Analogs

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Popular Name: 5-amino-N-(2,4-dimethylphenyl)-1H-indole-3-carboxamide 5-amino-N-(2,4-dimethylphenyl)-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) 2.86 5.93 -16.95 4 4 0 71 279.343 2 ↓

Analogs

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Popular Name: 5-amino-N-(3,4-dimethylphenyl)-1H-indole-3-carboxamide 5-amino-N-(3,4-dimethylphenyl)-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) 2.86 5.6 -17.05 4 4 0 71 279.343 2 ↓

Analogs

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Popular Name: 5-amino-N-(p-tolyl)-1H-indole-3-carboxamide 5-amino-N-(p-tolyl)-1H-indole-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) 2.48 5.04 -16.87 4 4 0 71 265.316 2 ↓

Analogs

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Popular Name: 5-amino-N-(4-methoxyphenyl)-1H-indole-3-carboxamide 5-amino-N-(4-methoxyphenyl)-1H-i…

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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) 2.09 3.65 -18.15 4 5 0 80 281.315 3 ↓

Analogs

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Popular Name: 5-amino-N-(3-chlorophenyl)-1H-indole-3-carboxamide 5-amino-N-(3-chlorophenyl)-1H-in…

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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 4.89 -18.17 4 4 0 71 285.734 2 ↓

Analogs

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Popular Name: 5-amino-N-(3-fluorophenyl)-1H-indole-3-carboxamide 5-amino-N-(3-fluorophenyl)-1H-in…

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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) 2.17 4.43 -19.49 4 4 0 71 269.279 2 ↓

Analogs

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Popular Name: 5-amino-N-(4-chlorophenyl)-1H-indole-3-carboxamide 5-amino-N-(4-chlorophenyl)-1H-in…

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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 4.89 -16.1 4 4 0 71 285.734 2 ↓

Analogs

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Popular Name: 5-amino-N-(2-cyanophenyl)-1H-indole-3-carboxamide 5-amino-N-(2-cyanophenyl)-1H-ind…

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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) 1.74 4.81 -13.88 4 5 0 95 276.299 2 ↓

Analogs

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Popular Name: 5-amino-N-(3-cyanophenyl)-1H-indole-3-carboxamide 5-amino-N-(3-cyanophenyl)-1H-ind…

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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) 1.76 4.76 -21.41 4 5 0 95 276.299 2 ↓

Analogs

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Popular Name: 5-amino-N-(2-bromophenyl)-1H-indole-3-carboxamide 5-amino-N-(2-bromophenyl)-1H-ind…

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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) 2.79 5.13 -13.67 4 4 0 71 330.185 2 ↓

Analogs

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Popular Name: 5-amino-N-(4-bromophenyl)-1H-indole-3-carboxamide 5-amino-N-(4-bromophenyl)-1H-ind…

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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 4.99 -16.06 4 4 0 71 330.185 2 ↓

Analogs

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Popular Name: 5-amino-N-(3-bromophenyl)-1H-indole-3-carboxamide 5-amino-N-(3-bromophenyl)-1H-ind…

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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 4.99 -18.04 4 4 0 71 330.185 2 ↓

Analogs

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Popular Name: 5-amino-N-(4-fluorophenyl)-1H-indole-3-carboxamide 5-amino-N-(4-fluorophenyl)-1H-in…

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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) 2.19 4.42 -16.67 4 4 0 71 269.279 2 ↓

Analogs

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Popular Name: 5-amino-N-(2-chlorophenyl)-1H-indole-3-carboxamide 5-amino-N-(2-chlorophenyl)-1H-in…

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Activity (Go SEA)

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) 2.66 4.98 -13.64 4 4 0 71 285.734 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-N-(2-fluorophenyl)-1H-indole-3-carboxamide 5-amino-N-(2-fluorophenyl)-1H-in…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.15 4.49 -14.23 4 4 0 71 269.279 2 ↓

Parameters Provided:

ring.id = 12486
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 = 12486 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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