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

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Popular Name: (3S)-N-benzyl-3-(3,5-dimethoxyphenyl)-N-(2-dimethylaminoethyl)-3-(1H-indol-3-yl)propanamide (3S)-N-benzyl-3-(3,5-dimethoxyph…

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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) 4.74 14.2 -57.57 2 6 1 59 486.636 11 ↓

Analogs

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Popular Name: (3R)-N-benzyl-3-(3,5-dimethoxyphenyl)-N-(2-dimethylaminoethyl)-3-(1H-indol-3-yl)propanamide (3R)-N-benzyl-3-(3,5-dimethoxyph…

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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) 4.74 14.21 -60.68 2 6 1 59 486.636 11 ↓

Analogs

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Popular Name: (3R)-N-benzyl-3-(1H-indol-3-yl)-3-(m-tolyl)propanamide (3R)-N-benzyl-3-(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) 4.85 11.94 -11.6 2 3 0 45 368.48 6 ↓

Analogs

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Popular Name: (3S)-N-benzyl-3-(1H-indol-3-yl)-3-(m-tolyl)propanamide (3S)-N-benzyl-3-(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) 4.85 11.94 -11.55 2 3 0 45 368.48 6 ↓

Analogs

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Popular Name: (3S)-N-benzyl-3-(3-chlorophenyl)-N-(2-dimethylaminoethyl)-3-(1H-indol-3-yl)propanamide (3S)-N-benzyl-3-(3-chlorophenyl)…

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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) 5.36 16.12 -58.57 2 4 1 41 461.029 9 ↓

Analogs

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Popular Name: (3R)-N-benzyl-3-(3-chlorophenyl)-N-(2-dimethylaminoethyl)-3-(1H-indol-3-yl)propanamide (3R)-N-benzyl-3-(3-chlorophenyl)…

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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) 5.36 16.12 -63.87 2 4 1 41 461.029 9 ↓

Analogs

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Popular Name: (3S)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (3S)-3-(3-chlorophenyl)-3-(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) 5.95 12.82 -13.71 2 3 0 45 456.895 7 ↓

Analogs

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Popular Name: (3R)-3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (3R)-3-(3-chlorophenyl)-3-(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) 5.95 12.82 -14.33 2 3 0 45 456.895 7 ↓

Analogs

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Popular Name: (3S)-N-benzyl-3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanamide (3S)-N-benzyl-3-(7-ethyl-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) 5.46 12.75 -11.81 2 3 0 45 400.497 7 ↓

Analogs

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Popular Name: (3R)-N-benzyl-3-(7-ethyl-1H-indol-3-yl)-3-(4-fluorophenyl)propanamide (3R)-N-benzyl-3-(7-ethyl-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) 5.46 12.75 -11.74 2 3 0 45 400.497 7 ↓

Analogs

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Popular Name: (3S)-N-benzyl-3-(7-ethyl-1H-indol-3-yl)-3-phenyl-propanamide (3S)-N-benzyl-3-(7-ethyl-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) 5.29 12.69 -11.27 2 3 0 45 382.507 7 ↓

Analogs

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Popular Name: (3R)-N-benzyl-3-(7-ethyl-1H-indol-3-yl)-3-phenyl-propanamide (3R)-N-benzyl-3-(7-ethyl-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) 5.29 12.68 -11.29 2 3 0 45 382.507 7 ↓

Analogs

35888876
35888876
35888877
35888877

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Popular Name: (3S)-N-benzyl-N-(2-dimethylaminoethyl)-3-(7-ethyl-1H-indol-3-yl)-3-phenyl-propanamide (3S)-N-benzyl-N-(2-dimethylamino…

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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) 5.57 17.03 -60.28 2 4 1 41 454.638 10 ↓

Analogs

35888876
35888876
35888877
35888877

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Popular Name: (3R)-N-benzyl-N-(2-dimethylaminoethyl)-3-(7-ethyl-1H-indol-3-yl)-3-phenyl-propanamide (3R)-N-benzyl-N-(2-dimethylamino…

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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) 5.57 17.01 -55.81 2 4 1 41 454.638 10 ↓

Analogs

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Popular Name: (3S)-3-(7-ethyl-1H-indol-3-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (3S)-3-(7-ethyl-1H-indol-3-yl)-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) 6.17 13.71 -12.12 2 3 0 45 450.504 8 ↓

Analogs

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Popular Name: (3R)-3-(7-ethyl-1H-indol-3-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (3R)-3-(7-ethyl-1H-indol-3-yl)-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) 6.17 13.7 -12.64 2 3 0 45 450.504 8 ↓

Analogs

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Popular Name: (3S)-N-benzyl-3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide (3S)-N-benzyl-3-(3-chlorophenyl)…

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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) 5.95 13.21 -12.77 2 3 0 45 416.952 7 ↓

Analogs

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Popular Name: (3R)-N-benzyl-3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide (3R)-N-benzyl-3-(3-chlorophenyl)…

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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) 5.95 13.2 -12.76 2 3 0 45 416.952 7 ↓

Analogs

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Popular Name: (3S)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(1-methylindol-3-yl)propanamide (3S)-3-(4-fluorophenyl)-N-[(4-fl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.82 13.13 -12.64 1 3 0 34 404.46 6 ↓

Analogs

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Popular Name: (3R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(1-methylindol-3-yl)propanamide (3R)-3-(4-fluorophenyl)-N-[(4-fl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.82 13.13 -12.5 1 3 0 34 404.46 6 ↓

Analogs

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Popular Name: (3S)-3-(3,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-3-(1-methylindol-3-yl)propanamide (3S)-3-(3,5-dimethoxyphenyl)-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) 4.70 11.65 -13.93 1 5 0 53 446.522 8 ↓

Analogs

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Popular Name: (3R)-3-(3,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-3-(1-methylindol-3-yl)propanamide (3R)-3-(3,5-dimethoxyphenyl)-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) 4.70 11.65 -13.88 1 5 0 53 446.522 8 ↓

Analogs

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Popular Name: (3S)-N-benzyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide (3S)-N-benzyl-3-(3,5-dimethoxyph…

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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) 4.54 11.6 -14.04 1 5 0 53 428.532 8 ↓

Analogs

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Popular Name: (3R)-N-benzyl-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide (3R)-N-benzyl-3-(3,5-dimethoxyph…

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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) 4.54 11.6 -13.97 1 5 0 53 428.532 8 ↓

Analogs

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Popular Name: (3S)-N-[(4-fluorophenyl)methyl]-3-(1-methylindol-3-yl)-3-phenyl-propanamide (3S)-N-[(4-fluorophenyl)methyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.66 13.07 -12.15 1 3 0 34 386.47 6 ↓

Analogs

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Popular Name: (3R)-N-[(4-fluorophenyl)methyl]-3-(1-methylindol-3-yl)-3-phenyl-propanamide (3R)-N-[(4-fluorophenyl)methyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.66 13.07 -12.07 1 3 0 34 386.47 6 ↓

Analogs

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Popular Name: (3S)-N-benzyl-3-(1-methylindol-3-yl)-3-phenyl-propanamide (3S)-N-benzyl-3-(1-methylindol-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) 4.50 13 -11.73 1 3 0 34 368.48 6 ↓

Analogs

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Popular Name: (3R)-N-benzyl-3-(1-methylindol-3-yl)-3-phenyl-propanamide (3R)-N-benzyl-3-(1-methylindol-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) 4.50 13 -11.68 1 3 0 34 368.48 6 ↓

Analogs

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Popular Name: (3S)-N-benzyl-3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide (3S)-N-benzyl-3-(4-chlorophenyl)…

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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 13.21 -11.05 2 3 0 45 416.952 7 ↓

Analogs

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Popular Name: (3R)-N-benzyl-3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide (3R)-N-benzyl-3-(4-chlorophenyl)…

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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 13.2 -11.11 2 3 0 45 416.952 7 ↓

Analogs

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Popular Name: (3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide (3S)-N-benzyl-3-(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) 5.30 12.3 -14.14 2 3 0 45 422.45 7 ↓

Analogs

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Popular Name: (3R)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide (3R)-N-benzyl-3-(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) 5.30 12.29 -14.16 2 3 0 45 422.45 7 ↓

Analogs

35891791
35891791
35891793
35891793
35891803
35891803
35891805
35891805

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Popular Name: (3S)-N-benzyl-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide (3S)-N-benzyl-3-(1-methylindol-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) 5.37 14.02 -14.15 1 3 0 34 436.477 7 ↓

Analogs

35891791
35891791
35891793
35891793
35891803
35891803
35891805
35891805

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-benzyl-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide (3R)-N-benzyl-3-(1-methylindol-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) 5.37 14.02 -14.12 1 3 0 34 436.477 7 ↓

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 16846 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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