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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1H-indol-3-yl)-N-(4-methyl-3-sulfamoyl-phenyl)-acetamide 2-(1H-indol-3-yl)-N-(4-methyl-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) 2.14 -6.24 -17.88 4 6 0 105 343.408 4 ↓

Analogs

34858425
34858425
4920244
4920244

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Popular Name: 5-chloro-3-[(5-chloro-2,4-dimethoxy-phenyl)carbamoylmethyl]-1H-indole-2-carboxylic 5-chloro-3-[(5-chloro-2,4-dimeth…

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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) 4.18 -1.55 -55.25 2 7 -1 103 422.244 6 ↓

Analogs

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Popular Name: 3-[[(4-bromophenyl)-methyl-carbamoyl]methyl]-5-chloro-1H-indole-2-carboxylic 3-[[(4-bromophenyl)-methyl-carba…

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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 -0.7 -52.65 1 5 -1 76 420.67 4 ↓

Analogs

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Popular Name: 5-chloro-3-[[4-(2-diethylaminoethoxycarbonyl)phenyl]carbamoylmethyl]-1H-indole-2-carboxylic 5-chloro-3-[[4-(2-diethylaminoet…

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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 0.29 -67.44 3 8 0 115 471.941 11 ↓

Analogs

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Popular Name: 2-[[2-(5-bromo-2-methyl-1H-indol-3-yl)acetyl]amino]-N-methyl-benzamide 2-[[2-(5-bromo-2-methyl-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) 3.22 7.02 -17.42 3 5 0 74 400.276 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) 3.92 10.25 -16.62 1 5 0 60 356.809 5 ↓

Analogs

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Popular Name: N-(3-bromo-4-methyl-phenyl)-2-(1-methylindol-3-yl)acetamide N-(3-bromo-4-methyl-phenyl)-2-(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) 4.32 10.15 -12.05 1 3 0 34 357.251 3 ↓

Analogs

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Popular Name: N-(5-bromo-2-fluoro-phenyl)-2-(1H-indol-3-yl)acetamide N-(5-bromo-2-fluoro-phenyl)-2-(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) 3.97 7.97 -11.39 2 3 0 45 347.187 3 ↓

Analogs

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Popular Name: 5-chloro-2-[[2-(1H-indol-3-yl)acetyl]amino]benzoic 5-chloro-2-[[2-(1H-indol-3-yl)ac…

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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 7.69 -49.15 2 5 -1 85 327.747 4 ↓

Analogs

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Popular Name: 5-bromo-2-[[2-(1H-indol-3-yl)acetyl]amino]benzoic 5-bromo-2-[[2-(1H-indol-3-yl)ace…

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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 7.79 -49.12 2 5 -1 85 372.198 4 ↓

Analogs

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Popular Name: 2-[[2-(1H-indol-3-yl)acetyl]amino]-4,5-dimethoxy-benzoic 2-[[2-(1H-indol-3-yl)acetyl]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) 2.74 6.51 -50.48 2 7 -1 103 353.354 6 ↓

Analogs

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Popular Name: N-(5-acetamido-2-methoxy-phenyl)-2-(2-methyl-1H-indol-3-yl)acetamide N-(5-acetamido-2-methoxy-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) 2.50 6.04 -15.67 3 6 0 83 351.406 5 ↓

Analogs

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Popular Name: N-(5-ethylsulfonyl-2-hydroxy-phenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide N-(5-ethylsulfonyl-2-hydroxy-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) 1.41 3.81 -27.99 3 6 0 99 390.436 5 ↓
Mid Mid (pH 6-8) 1.41 4.25 -52.79 2 6 -1 102 389.428 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,5-dimethyl-1H-indol-3-yl)-N-(5-ethylsulfonyl-2-hydroxy-phenyl)acetamide 2-(2,5-dimethyl-1H-indol-3-yl)-N…

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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) 2.67 4.4 -26.68 3 6 0 99 386.473 5 ↓
Mid Mid (pH 6-8) 2.67 4.85 -52.19 2 6 -1 102 385.465 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-[[2-(1H-indol-3-yl)acetyl]amino]benzoic 4-chloro-2-[[2-(1H-indol-3-yl)ac…

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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 7.74 -48.89 2 5 -1 85 327.747 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-2-[[2-(1H-indol-3-yl)acetyl]amino]benzoic 4-fluoro-2-[[2-(1H-indol-3-yl)ac…

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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) 3.25 7.29 -48.56 2 5 -1 85 311.292 4 ↓

Analogs

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Popular Name: 2-(1H-indol-3-yl)-N-(4-methoxy-2-nitro-phenyl)acetamide 2-(1H-indol-3-yl)-N-(4-methoxy-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) 3.01 7.55 -12.32 2 7 0 100 325.324 5 ↓

Analogs

7668966
7668966

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Popular Name: 2-(1H-indol-3-yl)-N-(2-isopropyl-6-methyl-phenyl)acetamide 2-(1H-indol-3-yl)-N-(2-isopropyl…

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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) 3.53 10.33 -11.95 2 3 0 45 306.409 4 ↓

Analogs

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Popular Name: 2-(1H-indol-3-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide 2-(1H-indol-3-yl)-N-[2-propoxy-5…

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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) 4.83 9.41 -13.05 2 4 0 54 376.378 7 ↓

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-2-(2-methyl-1H-indol-3-yl)-N-phenyl-acetamide N-(2-dimethylaminoethyl)-2-(2-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) 3.57 11.61 -38.75 2 4 1 41 336.459 6 ↓

Analogs

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Popular Name: N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2-(1H-indol-3-yl)acetamide N-[3-chloro-2-(2-ethoxyethoxy)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) 3.98 8.5 -12.95 2 5 0 63 372.852 8 ↓

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) 3.66 6.54 -13.92 3 6 0 91 358.781 5 ↓
Hi High (pH 8-9.5) 3.66 7.54 -48.66 2 6 -1 94 357.773 5 ↓

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) 3.23 6.53 -13.86 3 6 0 91 338.363 5 ↓
Hi High (pH 8-9.5) 3.23 7.53 -50.3 2 6 -1 94 337.355 5 ↓

Analogs

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Popular Name: N-[5-chloro-2-(dimethylamino)phenyl]-2-(1H-indol-3-yl)acetamide N-[5-chloro-2-(dimethylamino)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) 3.78 8.88 -12.27 2 4 0 48 327.815 4 ↓

Analogs

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Popular Name: N-(4-chloro-3-nitro-phenyl)-2-(1H-indol-3-yl)acetamide N-(4-chloro-3-nitro-phenyl)-2-(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) 3.63 8.34 -20.7 2 6 0 91 329.743 4 ↓

Analogs

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Popular Name: 3-(N-[2-(2-methyl-1H-indol-3-yl)acetyl]anilino)propanamide 3-(N-[2-(2-methyl-1H-indol-3-yl)…

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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 7.1 -15.53 3 5 0 79 335.407 6 ↓

Analogs

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Popular Name: N-(3,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)acetamide N-(3,5-dimethoxyphenyl)-2-(1-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.18 7.57 -16.18 1 5 0 53 324.38 5 ↓

Analogs

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Popular Name: N-[2-methyl-4-[[2-(1-methylindol-3-yl)acetyl]amino]phenyl]propanamide N-[2-methyl-4-[[2-(1-methylindol…

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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) 3.57 9.52 -17.36 2 5 0 63 349.434 5 ↓

Analogs

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Popular Name: N-(2,4-difluoro-5-nitro-phenyl)-2-(1H-indol-3-yl)acetamide N-(2,4-difluoro-5-nitro-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) 3.21 8.09 -15.69 2 6 0 91 331.278 4 ↓

Analogs

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Popular Name: N-[2-(dimethylaminomethyl)-4-methyl-phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide N-[2-(dimethylaminomethyl)-4-met…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.47 10.54 -49 3 4 1 49 336.459 5 ↓
Hi High (pH 8-9.5) 3.47 7.96 -11.91 2 4 0 48 335.451 5 ↓

Analogs

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Popular Name: N-(2-bromo-4,5-dimethoxy-phenyl)-2-(1H-indol-3-yl)acetamide 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) 3.45 7.18 -13.07 2 5 0 63 389.249 5 ↓

Analogs

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Popular Name: S-[3-[[2-(1-ethylindol-3-yl)acetyl]amino]phenyl] S-[3-[[2-(1-ethylindol-3-yl)acet…

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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) 3.82 10.54 -19.61 1 5 0 54 381.501 6 ↓

Analogs

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Popular Name: S-[3-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]phenyl] S-[3-[[2-(4-methyl-1H-indol-3-yl…

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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) 3.78 8.24 -19.53 2 5 0 65 367.474 5 ↓

Analogs

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Popular Name: N-methoxy-4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]-N-methyl-benzamide N-methoxy-4-[[2-(5-methoxy-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) 2.50 6.65 -20.13 2 7 0 84 367.405 6 ↓

Analogs

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Popular Name: 2-[[2-(1H-indol-3-yl)acetyl]amino]-5-methoxy-N-methyl-benzamide 2-[[2-(1H-indol-3-yl)acetyl]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) 2.25 5.27 -14.54 3 6 0 83 337.379 5 ↓

Analogs

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Popular Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-2-(1-methylindol-3-yl)acetamide N-[2-(2-cyanoethylsulfanyl)pheny…

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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 11.51 -17.38 1 4 0 58 349.459 6 ↓

Analogs

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Popular Name: N-(2-acetamido-5-chloro-phenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide N-(2-acetamido-5-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) 2.93 6.26 -20.42 3 6 0 83 371.824 5 ↓

Analogs

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Popular Name: 2-(5-methoxy-1H-indol-3-yl)-N-[3-[(1S)-1-methylsulfanylethyl]phenyl]acetamide 2-(5-methoxy-1H-indol-3-yl)-N-[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) 3.94 8.89 -15.72 2 4 0 54 354.475 6 ↓

Analogs

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Popular Name: 2-(5-methoxy-1H-indol-3-yl)-N-[3-[(1R)-1-methylsulfanylethyl]phenyl]acetamide 2-(5-methoxy-1H-indol-3-yl)-N-[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) 3.94 8.9 -14.85 2 4 0 54 354.475 6 ↓

Analogs

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Popular Name: N-[3-[[2-(1H-indol-3-yl)acetyl]amino]-2-methyl-phenyl]butanamide N-[3-[[2-(1H-indol-3-yl)acetyl]a…

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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) 4.04 8.79 -19.71 3 5 0 74 349.434 6 ↓

Analogs

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Popular Name: N-(3-fluoro-4-hydroxy-phenyl)-2-(1H-indol-3-yl)acetamide N-(3-fluoro-4-hydroxy-phenyl)-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.94 4.46 -16.9 3 4 0 65 284.29 3 ↓
Hi High (pH 8-9.5) 2.94 5.22 -57.96 2 4 -1 68 283.282 3 ↓

Analogs

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Popular Name: N-[4-(hydroxymethyl)phenyl]-2-(1H-indol-3-yl)acetamide N-[4-(hydroxymethyl)phenyl]-2-(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) 2.41 4.57 -15.49 3 4 0 65 280.327 4 ↓

Analogs

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Popular Name: N-(3-hydroxy-2-methyl-phenyl)-2-(1H-indol-3-yl)acetamide N-(3-hydroxy-2-methyl-phenyl)-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.41 5.32 -13.27 3 4 0 65 280.327 3 ↓

Analogs

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Popular Name: N-(3-hydroxy-4-methyl-phenyl)-2-(1H-indol-3-yl)acetamide N-(3-hydroxy-4-methyl-phenyl)-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.44 5.13 -13.92 3 4 0 65 280.327 3 ↓

Analogs

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Popular Name: N-(2-fluoro-4-hydroxy-phenyl)-2-(1H-indol-3-yl)acetamide N-(2-fluoro-4-hydroxy-phenyl)-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.68 4.49 -12.63 3 4 0 65 284.29 3 ↓

Analogs

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Popular Name: N-(4-chloro-3-hydroxy-phenyl)-2-(1H-indol-3-yl)acetamide N-(4-chloro-3-hydroxy-phenyl)-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 4.95 -14.51 3 4 0 65 300.745 3 ↓
Hi High (pH 8-9.5) 3.46 5.71 -58.16 2 4 -1 68 299.737 3 ↓

Analogs

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Popular Name: N-(2-chloro-4-hydroxy-phenyl)-2-(1H-indol-3-yl)acetamide N-(2-chloro-4-hydroxy-phenyl)-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.20 5.02 -12.17 3 4 0 65 300.745 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) 3.00 6.11 -17.54 3 7 0 92 381.432 8 ↓

Analogs

4901806
4901806

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Popular Name: N-methyl-2-[4-[[2-(1-methylindol-3-yl)acetyl]amino]phenyl]acetamide N-methyl-2-[4-[[2-(1-methylindol…

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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) 2.42 7.92 -21.83 2 5 0 63 335.407 5 ↓

Analogs

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Popular Name: N-[4-[2-(2-methoxyethylamino)-2-oxo-ethyl]phenyl]-2-(1-methylindol-3-yl)acetamide N-[4-[2-(2-methoxyethylamino)-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) 2.41 7.85 -21.25 2 6 0 72 379.46 8 ↓

Parameters Provided:

ring.id = 5814
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 = 5814 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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