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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[3-(difluoromethoxy)phenyl]-1H-indole-6-carboxamide N-[3-(difluoromethoxy)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) 3.62 6.12 -14.55 2 4 0 54 302.28 4 ↓

Analogs

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Popular Name: N-[3-(2-amino-2-oxo-ethoxy)-4-methoxy-phenyl]-1H-indole-6-carboxamide N-[3-(2-amino-2-oxo-ethoxy)-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) 1.40 3.69 -23.12 4 7 0 106 339.351 6 ↓

Analogs

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Popular Name: N-(3-acetamido-4-methyl-phenyl)-1H-indole-6-carboxamide N-(3-acetamido-4-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) 2.62 6.32 -15.59 3 5 0 74 307.353 3 ↓

Analogs

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Popular Name: N-[2-(isopropylcarbamoylamino)phenyl]-1H-indole-6-carboxamide N-[2-(isopropylcarbamoylamino)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) 3.16 6.06 -14.83 4 6 0 86 336.395 4 ↓

Analogs

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Popular Name: N-(3-acetylphenyl)-1H-indole-6-carboxamide N-(3-acetylphenyl)-1H-indole-6-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) 2.90 6.95 -20.18 2 4 0 62 278.311 3 ↓

Analogs

36166735
36166735

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Popular Name: N-(3-nitrophenyl)-1H-indole-6-carboxamide N-(3-nitrophenyl)-1H-indole-6-ca…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.96 7.24 -11.29 2 6 0 91 281.271 3 ↓

Analogs

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Popular Name: N-(3-chlorophenyl)-1H-indole-6-carboxamide N-(3-chlorophenyl)-1H-indole-6-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) 3.68 7.06 -12.11 2 3 0 45 270.719 2 ↓

Analogs

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-1H-indole-6-carboxamide N-(5-chloro-2-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) 3.69 6.47 -11.33 2 4 0 54 300.745 3 ↓

Analogs

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Popular Name: N-(3,4-difluorophenyl)-1H-indole-6-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) 3.28 6.66 -13.73 2 3 0 45 272.254 2 ↓

Analogs

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Popular Name: N-(2,4-difluorophenyl)-1H-indole-6-carboxamide N-(2,4-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) 3.28 6.71 -8.13 2 3 0 45 272.254 2 ↓

Analogs

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Popular Name: N-(2,5-difluorophenyl)-1H-indole-6-carboxamide N-(2,5-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) 3.28 6.71 -10.18 2 3 0 45 272.254 2 ↓

Analogs

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Popular Name: N-(4-iodo-2-methyl-phenyl)-1H-indole-6-carboxamide N-(4-iodo-2-methyl-phenyl)-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) 4.49 8.53 -9.98 2 3 0 45 376.197 2 ↓

Analogs

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Popular Name: N-(2-chloro-4-methyl-phenyl)-1H-indole-6-carboxamide N-(2-chloro-4-methyl-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) 4.08 7.84 -8.88 2 3 0 45 284.746 2 ↓

Analogs

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Popular Name: N-(4-chloro-2,5-dimethoxy-phenyl)-1H-indole-6-carboxamide 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) 3.67 5.82 -10.76 2 5 0 63 330.771 4 ↓

Analogs

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Popular Name: N-(3-chloro-2-fluoro-phenyl)-1H-indole-6-carboxamide N-(3-chloro-2-fluoro-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) 3.77 7.16 -8.75 2 3 0 45 288.709 2 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.99 9.36 -14.31 2 5 0 71 334.375 6 ↓

Analogs

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Popular Name: N-(5-chloro-2-fluoro-phenyl)-1H-indole-6-carboxamide N-(5-chloro-2-fluoro-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) 3.80 7.16 -9.53 2 3 0 45 288.709 2 ↓

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) 2.08 5.77 -14.91 3 7 0 100 351.362 6 ↓

Analogs

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Popular Name: N-(2,5-dichlorophenyl)-1H-indole-6-carboxamide N-(2,5-dichlorophenyl)-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) 4.31 7.69 -9.1 2 3 0 45 305.164 2 ↓

Analogs

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Popular Name: N-[4-(propylsulfamoyl)phenyl]-1H-indole-6-carboxamide N-[4-(propylsulfamoyl)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) 2.97 4.31 -16.93 3 6 0 91 357.435 6 ↓

Analogs

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Popular Name: N-(4-carbamoyl-3-chloro-phenyl)-1H-indole-6-carboxamide N-(4-carbamoyl-3-chloro-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) 2.45 3.87 -20.16 4 5 0 88 313.744 3 ↓

Analogs

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Popular Name: N-(2,5-dimethoxyphenyl)-1H-indole-6-carboxamide N-(2,5-dimethoxyphenyl)-1H-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) 3.07 5.25 -13.68 2 5 0 63 296.326 4 ↓

Analogs

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Popular Name: N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1H-indole-6-carboxamide N-[3-chloro-4-(diethylcarbamoyl)…

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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) 3.35 8.94 -18.65 2 5 0 65 369.852 5 ↓

Analogs

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Popular Name: N-(5-bromo-2-chloro-phenyl)-1H-indole-6-carboxamide N-(5-bromo-2-chloro-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) 4.44 7.8 -9.06 2 3 0 45 349.615 2 ↓

Analogs

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Popular Name: N-[5-fluoro-2-(2-methoxyethoxy)phenyl]-1H-indole-6-carboxamide N-[5-fluoro-2-(2-methoxyethoxy)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) 3.06 6.22 -13.75 2 5 0 63 328.343 6 ↓

Analogs

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Popular Name: N-[4-methoxy-2-(methylcarbamoyl)phenyl]-1H-indole-6-carboxamide N-[4-methoxy-2-(methylcarbamoyl)…

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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 4.56 -13.41 3 6 0 83 323.352 4 ↓

Analogs

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Popular Name: N-(2-carbamoylphenyl)-1H-indole-6-carboxamide N-(2-carbamoylphenyl)-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) 1.80 3.77 -14.55 4 5 0 88 279.299 3 ↓

Analogs

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Popular Name: N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1H-indole-6-carboxamide N-[3-(3-ethoxypropylcarbamoyl)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) 2.83 6.46 -21.71 3 6 0 83 365.433 8 ↓

Analogs

39891154
39891154

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Popular Name: N-[3-[2-(dimethylamino)-2-oxo-ethoxy]phenyl]-1H-indole-6-carboxamide N-[3-[2-(dimethylamino)-2-oxo-et…

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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) 1.97 7.37 -25.32 2 6 0 74 337.379 5 ↓

Analogs

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Popular Name: N-[2-(3-amino-3-oxo-propoxy)phenyl]-1H-indole-6-carboxamide N-[2-(3-amino-3-oxo-propoxy)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) 2.04 3.78 -15.83 4 6 0 97 323.352 6 ↓

Analogs

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Popular Name: N-[3-chloro-4-(propylcarbamoyl)phenyl]-1H-indole-6-carboxamide N-[3-chloro-4-(propylcarbamoyl)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) 3.70 6.95 -19.61 3 5 0 74 355.825 5 ↓

Analogs

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Popular Name: N-(2-bromo-4,5-dimethoxy-phenyl)-1H-indole-6-carboxamide N-(2-bromo-4,5-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) 3.41 6.51 -10.87 2 5 0 63 375.222 4 ↓

Analogs

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Popular Name: N-[2-(tert-butylcarbamoyl)phenyl]-1H-indole-6-carboxamide N-[2-(tert-butylcarbamoyl)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) 3.36 7.43 -13.38 3 5 0 74 335.407 4 ↓

Analogs

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Popular Name: S-[3-(1H-indole-6-carbonylamino)phenyl] S-[3-(1H-indole-6-carbonylamino)…

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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) 3.33 7.22 -20.04 2 5 0 65 339.42 4 ↓

Analogs

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Popular Name: N-(5-chloro-2-hydroxy-phenyl)-1H-indole-6-carboxamide N-(5-chloro-2-hydroxy-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) 3.41 4.31 -11.2 3 4 0 65 286.718 2 ↓
Hi High (pH 8-9.5) 3.41 5.07 -44.07 2 4 -1 68 285.71 2 ↓

Analogs

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Popular Name: N-[4-(ureidomethyl)phenyl]-1H-indole-6-carboxamide N-[4-(ureidomethyl)phenyl]-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) 1.86 2.76 -16.85 5 6 0 100 308.341 4 ↓

Analogs

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Popular Name: N-(4-ethyl-3-sulfamoyl-phenyl)-1H-indole-6-carboxamide N-(4-ethyl-3-sulfamoyl-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) 2.56 3.05 -21.44 4 6 0 105 343.408 4 ↓

Analogs

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Popular Name: N-(4-nitrophenyl)-1H-indole-6-carboxamide N-(4-nitrophenyl)-1H-indole-6-ca…

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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 7.26 -13.4 2 6 0 91 281.271 3 ↓

Analogs

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Popular Name: N-(2-bromo-4-fluoro-phenyl)-1H-indole-6-carboxamide N-(2-bromo-4-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) 3.93 7.38 -7.76 2 3 0 45 333.16 2 ↓

Analogs

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Popular Name: N-(3-fluoro-4-hydroxy-phenyl)-1H-indole-6-carboxamide N-(3-fluoro-4-hydroxy-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) 2.90 3.75 -14.66 3 4 0 65 270.263 2 ↓
Hi High (pH 8-9.5) 2.90 4.52 -55.4 2 4 -1 68 269.255 2 ↓

Analogs

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Popular Name: N-[4-(hydroxymethyl)phenyl]-1H-indole-6-carboxamide N-[4-(hydroxymethyl)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) 2.36 3.87 -13.04 3 4 0 65 266.3 3 ↓

Analogs

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Popular Name: N-(3-hydroxy-2-methyl-phenyl)-1H-indole-6-carboxamide N-(3-hydroxy-2-methyl-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) 3.37 4.63 -11.35 3 4 0 65 266.3 2 ↓

Analogs

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Popular Name: N-(3-hydroxy-4-methyl-phenyl)-1H-indole-6-carboxamide N-(3-hydroxy-4-methyl-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) 3.39 4.44 -13.92 3 4 0 65 266.3 2 ↓

Analogs

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Popular Name: N-(2-fluoro-4-hydroxy-phenyl)-1H-indole-6-carboxamide N-(2-fluoro-4-hydroxy-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) 2.64 3.78 -10.38 3 4 0 65 270.263 2 ↓

Analogs

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Popular Name: N-(4-chloro-3-hydroxy-phenyl)-1H-indole-6-carboxamide N-(4-chloro-3-hydroxy-phenyl)-1H…

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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) 3.41 4.25 -12.41 3 4 0 65 286.718 2 ↓
Hi High (pH 8-9.5) 3.41 5.01 -56.91 2 4 -1 68 285.71 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chloro-4-hydroxy-phenyl)-1H-indole-6-carboxamide N-(2-chloro-4-hydroxy-phenyl)-1H…

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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) 3.15 4.31 -10.06 3 4 0 65 286.718 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-3-fluoro-phenyl)-1H-indole-6-carboxamide N-(4-chloro-3-fluoro-phenyl)-1H-…

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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) 3.80 7.11 -12.84 2 3 0 45 288.709 2 ↓

Analogs

37116384
37116384

Draw Identity 99% 90% 80% 70%

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

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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) 3.26 6.71 -9.22 2 3 0 45 272.254 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-acetamido-2-chloro-phenyl)-1H-indole-6-carboxamide N-(4-acetamido-2-chloro-phenyl)-…

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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) 2.85 6.07 -14.8 3 5 0 74 327.771 3 ↓

Parameters Provided:

ring.id = 12738
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 = 12738 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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