UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [(1-methyl-2-phenyl-indol-3-yl)methyleneamino]urea [(1-methyl-2-phenyl-indol-3-yl)m…

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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 6.11 -11.5 3 5 0 72 292.342 3 ↓

Analogs

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Popular Name: (2S)-N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-methoxy-butanamide (2S)-N-[(3,5-dimethyl-2-phenyl-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.29 9.94 -10.43 2 4 0 54 350.462 6 ↓

Analogs

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Popular Name: (2R)-N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-methoxy-butanamide (2R)-N-[(3,5-dimethyl-2-phenyl-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.29 9.88 -10.57 2 4 0 54 350.462 6 ↓

Analogs

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Popular Name: 4-(5-iodo-1H-indol-2-yl)-N-methyl-aniline 4-(5-iodo-1H-indol-2-yl)-N-methy…

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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) 4.75 7.99 -5.2 2 2 0 28 348.187 2 ↓

Analogs

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Popular Name: 1-methyl-2-phenyl-indole-3-carbonitrile 1-methyl-2-phenyl-indole-3-carbo…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.58 9.8 -9.3 0 2 0 29 232.286 1 ↓

Analogs

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Popular Name: 1-methyl-2-(o-tolyl)indole-3-carbonitrile 1-methyl-2-(o-tolyl)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) 3.98 3.61 -8.71 0 2 0 29 246.313 1 ↓

Analogs

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Popular Name: 1-methyl-2-(m-tolyl)indole-3-carbonitrile 1-methyl-2-(m-tolyl)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) 4.01 3.38 -9.38 0 2 0 29 246.313 1 ↓

Analogs

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Popular Name: 1-methyl-2-(p-tolyl)indole-3-carbonitrile 1-methyl-2-(p-tolyl)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) 4.03 3.52 -9.18 0 2 0 29 246.313 1 ↓

Analogs

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Popular Name: 2-(2-fluorophenyl)-1-methyl-indole-3-carbonitrile 2-(2-fluorophenyl)-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) 3.70 4.07 -10.47 0 2 0 29 250.276 1 ↓

Analogs

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Popular Name: 2-(3-fluorophenyl)-1-methyl-indole-3-carbonitrile 2-(3-fluorophenyl)-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) 3.72 3.8 -7.92 0 2 0 29 250.276 1 ↓

Analogs

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Popular Name: 2-(4-fluorophenyl)-1-methyl-indole-3-carbonitrile 2-(4-fluorophenyl)-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) 3.75 3.94 -9.01 0 2 0 29 250.276 1 ↓

Analogs

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Popular Name: 2-(2-chlorophenyl)-1-methyl-indole-3-carbonitrile 2-(2-chlorophenyl)-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) 4.21 3.18 -9.5 0 2 0 29 266.731 1 ↓

Analogs

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Popular Name: 2-(3-chlorophenyl)-1-methyl-indole-3-carbonitrile 2-(3-chlorophenyl)-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) 4.24 2.91 -7.68 0 2 0 29 266.731 1 ↓

Analogs

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Popular Name: 2-(4-chlorophenyl)-1-methyl-indole-3-carbonitrile 2-(4-chlorophenyl)-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) 4.26 3.05 -8.56 0 2 0 29 266.731 1 ↓

Analogs

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Popular Name: 2-(2-methoxyphenyl)-1-methyl-indole-3-carbonitrile 2-(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) 3.59 3.43 -10.68 0 3 0 38 262.312 2 ↓

Analogs

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Popular Name: 2-(3-methoxyphenyl)-1-methyl-indole-3-carbonitrile 2-(3-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) 3.62 3.08 -12.08 0 3 0 38 262.312 2 ↓

Analogs

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Popular Name: 2-(4-methoxyphenyl)-1-methyl-indole-3-carbonitrile 2-(4-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) 3.64 3.23 -10.4 0 3 0 38 262.312 2 ↓

Analogs

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Popular Name: 2-(3,4-dimethylphenyl)-1-methyl-indole-3-carbonitrile 2-(3,4-dimethylphenyl)-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) 4.41 3.67 -9.33 0 2 0 29 260.34 1 ↓

Analogs

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Popular Name: 2-(4-tert-butylphenyl)-1-methyl-indole-3-carbonitrile 2-(4-tert-butylphenyl)-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) 5.29 4.35 -8.69 0 2 0 29 288.394 2 ↓

Analogs

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Popular Name: 2-(3,4-dimethoxyphenyl)-1-methyl-indole-3-carbonitrile 2-(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) 3.23 3.41 -12.52 0 4 0 47 292.338 3 ↓

Analogs

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Popular Name: 1-methyl-2-(3,4,5-trimethoxyphenyl)indole-3-carbonitrile 1-methyl-2-(3,4,5-trimethoxyphen…

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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 3.85 -12.23 0 5 0 56 322.364 4 ↓

Analogs

35905543
35905543

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Popular Name: 1-ethyl-2-phenyl-indole-3-carbonitrile 1-ethyl-2-phenyl-indole-3-carbon…

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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) 3.96 10.69 -9.04 0 2 0 29 246.313 2 ↓

Analogs

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Popular Name: 1-ethyl-2-(o-tolyl)indole-3-carbonitrile 1-ethyl-2-(o-tolyl)indole-3-carb…

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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) 4.36 3.76 -8.37 0 2 0 29 260.34 2 ↓

Analogs

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Popular Name: 1-ethyl-2-(m-tolyl)indole-3-carbonitrile 1-ethyl-2-(m-tolyl)indole-3-carb…

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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) 4.38 3.75 -8.75 0 2 0 29 260.34 2 ↓

Analogs

35905543
35905543

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Popular Name: 1-ethyl-2-(p-tolyl)indole-3-carbonitrile 1-ethyl-2-(p-tolyl)indole-3-carb…

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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) 4.41 3.68 -8.84 0 2 0 29 260.34 2 ↓

Analogs

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Popular Name: 1-ethyl-2-(2-fluorophenyl)indole-3-carbonitrile 1-ethyl-2-(2-fluorophenyl)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) 4.08 4.2 -10.31 0 2 0 29 264.303 2 ↓

Analogs

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Popular Name: 1-ethyl-2-(3-fluorophenyl)indole-3-carbonitrile 1-ethyl-2-(3-fluorophenyl)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) 4.10 4.17 -7.68 0 2 0 29 264.303 2 ↓

Analogs

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Popular Name: 1-ethyl-2-(4-fluorophenyl)indole-3-carbonitrile 1-ethyl-2-(4-fluorophenyl)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) 4.12 4.09 -8.63 0 2 0 29 264.303 2 ↓

Analogs

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Popular Name: 2-(2-chlorophenyl)-1-ethyl-indole-3-carbonitrile 2-(2-chlorophenyl)-1-ethyl-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) 4.59 3.35 -9.29 0 2 0 29 280.758 2 ↓

Analogs

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Popular Name: 2-(3-chlorophenyl)-1-ethyl-indole-3-carbonitrile 2-(3-chlorophenyl)-1-ethyl-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) 4.61 3.28 -7.4 0 2 0 29 280.758 2 ↓

Analogs

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Popular Name: 2-(4-chlorophenyl)-1-ethyl-indole-3-carbonitrile 2-(4-chlorophenyl)-1-ethyl-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) 4.64 3.21 -8.27 0 2 0 29 280.758 2 ↓

Analogs

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Popular Name: 1-ethyl-2-(2-methoxyphenyl)indole-3-carbonitrile 1-ethyl-2-(2-methoxyphenyl)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) 3.97 3.65 -10.3 0 3 0 38 276.339 3 ↓

Analogs

35905543
35905543

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Popular Name: 1-ethyl-2-(3-methoxyphenyl)indole-3-carbonitrile 1-ethyl-2-(3-methoxyphenyl)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) 3.99 3.45 -11.33 0 3 0 38 276.339 3 ↓

Analogs

35875590
35875590
35905543
35905543

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Popular Name: 1-ethyl-2-(4-methoxyphenyl)indole-3-carbonitrile 1-ethyl-2-(4-methoxyphenyl)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) 4.02 3.38 -10.05 0 3 0 38 276.339 3 ↓

Analogs

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Popular Name: 2-(3,4-dimethylphenyl)-1-ethyl-indole-3-carbonitrile 2-(3,4-dimethylphenyl)-1-ethyl-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) 4.78 4.04 -8.89 0 2 0 29 274.367 2 ↓

Analogs

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Popular Name: 2-(4-tert-butylphenyl)-1-ethyl-indole-3-carbonitrile 2-(4-tert-butylphenyl)-1-ethyl-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) 5.67 4.51 -8.42 0 2 0 29 302.421 3 ↓

Analogs

35905543
35905543

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Popular Name: 2-(3,4-dimethoxyphenyl)-1-ethyl-indole-3-carbonitrile 2-(3,4-dimethoxyphenyl)-1-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) 3.61 3.79 -11.98 0 4 0 47 306.365 4 ↓

Analogs

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Popular Name: 1-ethyl-2-(3,4,5-trimethoxyphenyl)indole-3-carbonitrile 1-ethyl-2-(3,4,5-trimethoxypheny…

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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) 3.59 4.22 -11.78 0 5 0 56 336.391 5 ↓

Analogs

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Popular Name: (1-methyl-2-phenyl-indol-3-yl)methanamine (1-methyl-2-phenyl-indol-3-yl)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) 3.01 -1.14 -41.7 3 2 1 33 237.326 2 ↓

Analogs

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Popular Name: [1-methyl-2-(o-tolyl)indol-3-yl]methanamine [1-methyl-2-(o-tolyl)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) 3.41 -0.68 -40.12 3 2 1 33 251.353 2 ↓

Analogs

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Popular Name: [1-methyl-2-(m-tolyl)indol-3-yl]methanamine [1-methyl-2-(m-tolyl)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) 3.44 -0.7 -44.06 3 2 1 33 251.353 2 ↓

Analogs

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Popular Name: [1-methyl-2-(p-tolyl)indol-3-yl]methanamine [1-methyl-2-(p-tolyl)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) 3.46 -0.82 -41.65 3 2 1 33 251.353 2 ↓

Analogs

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Popular Name: [2-(2-fluorophenyl)-1-methyl-indol-3-yl]methanamine [2-(2-fluorophenyl)-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) 3.13 -0.37 -38.88 3 2 1 33 255.316 2 ↓

Analogs

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Popular Name: [2-(3-fluorophenyl)-1-methyl-indol-3-yl]methanamine [2-(3-fluorophenyl)-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) 3.15 -0.41 -42.44 3 2 1 33 255.316 2 ↓

Analogs

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Popular Name: [2-(4-fluorophenyl)-1-methyl-indol-3-yl]methanamine [2-(4-fluorophenyl)-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) 3.18 -0.4 -44.7 3 2 1 33 255.316 2 ↓

Analogs

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Popular Name: [2-(2-chlorophenyl)-1-methyl-indol-3-yl]methanamine [2-(2-chlorophenyl)-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) 3.64 -1.14 -37.14 3 2 1 33 271.771 2 ↓

Analogs

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Popular Name: [2-(3-chlorophenyl)-1-methyl-indol-3-yl]methanamine [2-(3-chlorophenyl)-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) 3.67 -1.29 -41.82 3 2 1 33 271.771 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-chlorophenyl)-1-methyl-indol-3-yl]methanamine [2-(4-chlorophenyl)-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) 3.69 -1.29 -44.04 3 2 1 33 271.771 2 ↓

Analogs

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Popular Name: [2-(2-methoxyphenyl)-1-methyl-indol-3-yl]methanamine [2-(2-methoxyphenyl)-1-methyl-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) 3.02 -0.96 -38.75 3 3 1 42 267.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3-methoxyphenyl)-1-methyl-indol-3-yl]methanamine [2-(3-methoxyphenyl)-1-methyl-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) 3.05 -1.13 -41.09 3 3 1 42 267.352 3 ↓

Parameters Provided:

ring.id = 16311
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 = 16311 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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