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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-(2-indol-1-ylethyl)ethanamine (1S)-1-cyclopropyl-N-(2-indol-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) 3.21 9.13 -45.57 2 2 1 22 229.347 5 ↓
Hi High (pH 8-9.5) 3.21 7.95 -4.44 1 2 0 17 228.339 5 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-(2-indol-1-ylethyl)ethanamine (1R)-1-cyclopropyl-N-(2-indol-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) 3.21 9.23 -45.4 2 2 1 22 229.347 5 ↓
Hi High (pH 8-9.5) 3.21 8.07 -4.31 1 2 0 17 228.339 5 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-2-indol-1-yl-ethanamine N-(cyclopropylmethyl)-2-indol-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) 2.53 8.82 -47.35 2 2 1 22 215.32 5 ↓
Hi High (pH 8-9.5) 2.53 7.46 -4.71 1 2 0 17 214.312 5 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-2-(7-ethylindol-1-yl)ethanamine N-[(1S)-1-cyclopropylethyl]-2-(7…

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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 10.02 -46.46 2 2 1 22 257.401 6 ↓
Hi High (pH 8-9.5) 4.08 8.84 -4.41 1 2 0 17 256.393 6 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopropylethyl]-2-(7-ethylindol-1-yl)ethanamine N-[(1R)-1-cyclopropylethyl]-2-(7…

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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 10.13 -46.21 2 2 1 22 257.401 6 ↓
Hi High (pH 8-9.5) 4.08 8.93 -4.41 1 2 0 17 256.393 6 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-2-(7-ethylindol-1-yl)ethanamine N-(cyclopropylmethyl)-2-(7-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) 3.40 9.71 -48.41 2 2 1 22 243.374 6 ↓
Hi High (pH 8-9.5) 3.40 8.35 -4.47 1 2 0 17 242.366 6 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-2-(2-methylindol-1-yl)ethanamine N-[(1S)-1-cyclopropylethyl]-2-(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) 3.43 9.6 -46.03 2 2 1 22 243.374 5 ↓
Hi High (pH 8-9.5) 3.43 8.43 -4.33 1 2 0 17 242.366 5 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopropylethyl]-2-(2-methylindol-1-yl)ethanamine N-[(1R)-1-cyclopropylethyl]-2-(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) 3.43 9.72 -45.56 2 2 1 22 243.374 5 ↓
Hi High (pH 8-9.5) 3.43 8.51 -4.43 1 2 0 17 242.366 5 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-2-(2-methylindol-1-yl)ethanamine N-(cyclopropylmethyl)-2-(2-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) 2.75 9.3 -47.72 2 2 1 22 229.347 5 ↓
Hi High (pH 8-9.5) 2.75 7.94 -4.48 1 2 0 17 228.339 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-[2-(5-methoxyindol-1-yl)ethyl]ethanamine (1S)-1-cyclopropyl-N-[2-(5-metho…

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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 8.42 -49.74 2 3 1 31 259.373 6 ↓
Hi High (pH 8-9.5) 3.25 7.23 -6.26 1 3 0 26 258.365 6 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-[2-(5-methoxyindol-1-yl)ethyl]ethanamine (1R)-1-cyclopropyl-N-[2-(5-metho…

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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 8.51 -49.48 2 3 1 31 259.373 6 ↓
Hi High (pH 8-9.5) 3.25 7.35 -6.2 1 3 0 26 258.365 6 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-2-(5-methoxyindol-1-yl)ethanamine N-(cyclopropylmethyl)-2-(5-metho…

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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 8.11 -51.46 2 3 1 31 245.346 6 ↓
Hi High (pH 8-9.5) 2.56 6.75 -6.39 1 3 0 26 244.338 6 ↓

Analogs

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Popular Name: (1S)-N-[2-(5-bromoindol-1-yl)ethyl]-1-cyclopropyl-ethanamine (1S)-N-[2-(5-bromoindol-1-yl)eth…

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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) 4.00 9.75 -48.36 2 2 1 22 308.243 5 ↓
Hi High (pH 8-9.5) 4.00 8.56 -4.14 1 2 0 17 307.235 5 ↓

Analogs

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Popular Name: (1R)-N-[2-(5-bromoindol-1-yl)ethyl]-1-cyclopropyl-ethanamine (1R)-N-[2-(5-bromoindol-1-yl)eth…

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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) 4.00 9.85 -48.07 2 2 1 22 308.243 5 ↓
Hi High (pH 8-9.5) 4.00 8.69 -4.06 1 2 0 17 307.235 5 ↓

Analogs

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Popular Name: 2-(5-bromoindol-1-yl)-N-(cyclopropylmethyl)ethanamine 2-(5-bromoindol-1-yl)-N-(cyclopr…

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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) 3.32 9.44 -50.02 2 2 1 22 294.216 5 ↓
Hi High (pH 8-9.5) 3.32 8.08 -4.34 1 2 0 17 293.208 5 ↓

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-[2-(6-fluoroindol-1-yl)ethyl]ethanamine (1S)-1-cyclopropyl-N-[2-(6-fluor…

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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 9.2 -46 2 2 1 22 247.337 5 ↓
Hi High (pH 8-9.5) 3.35 8.01 -4.53 1 2 0 17 246.329 5 ↓

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-[2-(6-fluoroindol-1-yl)ethyl]ethanamine (1R)-1-cyclopropyl-N-[2-(6-fluor…

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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 9.3 -45.79 2 2 1 22 247.337 5 ↓
Hi High (pH 8-9.5) 3.35 8.14 -4.34 1 2 0 17 246.329 5 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-2-(6-fluoroindol-1-yl)ethanamine N-(cyclopropylmethyl)-2-(6-fluor…

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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 8.89 -47.72 2 2 1 22 233.31 5 ↓
Hi High (pH 8-9.5) 2.67 7.53 -5.05 1 2 0 17 232.302 5 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-2-(6-methylindol-1-yl)ethanamine N-[(1S)-1-cyclopropylethyl]-2-(6…

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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 9.8 -45.56 2 2 1 22 243.374 5 ↓
Hi High (pH 8-9.5) 3.64 8.62 -4.79 1 2 0 17 242.366 5 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopropylethyl]-2-(6-methylindol-1-yl)ethanamine N-[(1R)-1-cyclopropylethyl]-2-(6…

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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 9.9 -45.35 2 2 1 22 243.374 5 ↓
Hi High (pH 8-9.5) 3.64 8.7 -4.75 1 2 0 17 242.366 5 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-2-(6-methylindol-1-yl)ethanamine N-(cyclopropylmethyl)-2-(6-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) 2.96 9.49 -47.33 2 2 1 22 229.347 5 ↓
Hi High (pH 8-9.5) 2.96 8.13 -4.79 1 2 0 17 228.339 5 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-2-(4-methylindol-1-yl)ethanamine N-[(1S)-1-cyclopropylethyl]-2-(4…

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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 9.77 -45.23 2 2 1 22 243.374 5 ↓
Hi High (pH 8-9.5) 3.61 8.6 -4.77 1 2 0 17 242.366 5 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopropylethyl]-2-(4-methylindol-1-yl)ethanamine N-[(1R)-1-cyclopropylethyl]-2-(4…

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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 9.87 -45.02 2 2 1 22 243.374 5 ↓
Hi High (pH 8-9.5) 3.61 8.67 -4.74 1 2 0 17 242.366 5 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-2-(4-methylindol-1-yl)ethanamine N-(cyclopropylmethyl)-2-(4-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) 2.93 9.46 -46.95 2 2 1 22 229.347 5 ↓
Hi High (pH 8-9.5) 2.93 8.11 -4.81 1 2 0 17 228.339 5 ↓

Analogs

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Popular Name: (1S)-N-[2-(6-chloroindol-1-yl)ethyl]-1-cyclopropyl-ethanamine (1S)-N-[2-(6-chloroindol-1-yl)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) 3.87 9.64 -45.53 2 2 1 22 263.792 5 ↓
Hi High (pH 8-9.5) 3.87 8.46 -3.97 1 2 0 17 262.784 5 ↓

Analogs

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Popular Name: (1R)-N-[2-(6-chloroindol-1-yl)ethyl]-1-cyclopropyl-ethanamine (1R)-N-[2-(6-chloroindol-1-yl)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) 3.87 9.74 -45.32 2 2 1 22 263.792 5 ↓
Hi High (pH 8-9.5) 3.87 8.58 -3.83 1 2 0 17 262.784 5 ↓

Analogs

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Popular Name: 2-(6-chloroindol-1-yl)-N-(cyclopropylmethyl)ethanamine 2-(6-chloroindol-1-yl)-N-(cyclop…

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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) 3.19 9.33 -47.31 2 2 1 22 249.765 5 ↓
Hi High (pH 8-9.5) 3.19 7.97 -4.43 1 2 0 17 248.757 5 ↓

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-2-(3-methylindol-1-yl)ethanamine N-[(1S)-1-cyclopropylethyl]-2-(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) 3.59 9.8 -45.41 2 2 1 22 243.374 5 ↓
Hi High (pH 8-9.5) 3.59 8.63 -4.56 1 2 0 17 242.366 5 ↓

Analogs

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Popular Name: N-[(1R)-1-cyclopropylethyl]-2-(3-methylindol-1-yl)ethanamine N-[(1R)-1-cyclopropylethyl]-2-(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) 3.59 9.91 -45.14 2 2 1 22 243.374 5 ↓
Hi High (pH 8-9.5) 3.59 8.71 -4.61 1 2 0 17 242.366 5 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-2-(3-methylindol-1-yl)ethanamine N-(cyclopropylmethyl)-2-(3-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) 2.91 9.5 -47.18 2 2 1 22 229.347 5 ↓
Hi High (pH 8-9.5) 2.91 8.14 -4.63 1 2 0 17 228.339 5 ↓

Analogs

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Popular Name: (1S)-N-[2-(6-bromoindol-1-yl)ethyl]-1-cyclopropyl-ethanamine (1S)-N-[2-(6-bromoindol-1-yl)eth…

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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) 4.00 9.75 -45.64 2 2 1 22 308.243 5 ↓
Hi High (pH 8-9.5) 4.00 8.56 -3.89 1 2 0 17 307.235 5 ↓

Analogs

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Popular Name: (1R)-N-[2-(6-bromoindol-1-yl)ethyl]-1-cyclopropyl-ethanamine (1R)-N-[2-(6-bromoindol-1-yl)eth…

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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) 4.00 9.84 -45.46 2 2 1 22 308.243 5 ↓
Hi High (pH 8-9.5) 4.00 8.68 -3.8 1 2 0 17 307.235 5 ↓

Analogs

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Popular Name: 2-(6-bromoindol-1-yl)-N-(cyclopropylmethyl)ethanamine 2-(6-bromoindol-1-yl)-N-(cyclopr…

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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) 3.32 9.43 -47.39 2 2 1 22 294.216 5 ↓
Hi High (pH 8-9.5) 3.32 8.08 -4.43 1 2 0 17 293.208 5 ↓

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 = 73044 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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