UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[(2-ethylbenzofuran-3-yl)methyl]cyclopropanamine N-[(2-ethylbenzofuran-3-yl)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 7.89 -39.56 2 2 1 30 216.304 4 ↓

Analogs

190983
190983
19530688
19530688

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Popular Name: 3-[[cyclopropyl(ethyl)amino]methyl]benzofuran-2-carboxylic 3-[[cyclopropyl(ethyl)amino]meth…

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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) 2.55 9.56 -43.49 1 4 0 58 259.305 5 ↓
Hi High (pH 8-9.5) 2.55 7.15 -51.44 0 4 -1 57 258.297 5 ↓

Analogs

190983
190983
19530688
19530688

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Popular Name: 3-[[cyclopropyl(methyl)amino]methyl]benzofuran-2-carboxylic 3-[[cyclopropyl(methyl)amino]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) 2.17 8.96 -44.69 1 4 0 58 245.278 4 ↓
Hi High (pH 8-9.5) 2.17 6.55 -53.09 0 4 -1 57 244.27 4 ↓

Analogs

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Popular Name: 3-[[cyclopropyl(propyl)amino]methyl]benzofuran-2-carboxylic 3-[[cyclopropyl(propyl)amino]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) 3.05 10.41 -42.26 1 4 0 58 273.332 6 ↓
Hi High (pH 8-9.5) 3.05 7.92 -51.29 0 4 -1 57 272.324 6 ↓

Analogs

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Popular Name: N-[[2-(diethylaminomethyl)benzofuran-3-yl]methyl]cyclopropanamine N-[[2-(diethylaminomethyl)benzof…

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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 9.86 -105.81 3 3 2 34 274.408 7 ↓

Analogs

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Popular Name: N-[[2-[[butyl(methyl)amino]methyl]benzofuran-3-yl]methyl]cyclopropanamine N-[[2-[[butyl(methyl)amino]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) 3.60 10.68 -111.65 3 3 2 34 288.435 8 ↓

Analogs

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Popular Name: N-[[2-[[isopropyl(methyl)amino]methyl]benzofuran-3-yl]methyl]cyclopropanamine N-[[2-[[isopropyl(methyl)amino]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) 2.83 9.3 -107.27 3 3 2 34 274.408 6 ↓

Analogs

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Popular Name: N-[[2-(dimethylaminomethyl)benzofuran-3-yl]methyl]cyclopropanamine N-[[2-(dimethylaminomethyl)benzo…

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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) 2.16 8.12 -107.35 3 3 2 34 246.354 5 ↓

Analogs

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Popular Name: N-[[2-[[methyl-[(1R)-1-methylpropyl]amino]methyl]benzofuran-3-yl]methyl]cyclopropanamine N-[[2-[[methyl-[(1R)-1-methylpro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.37 9.89 -106.06 3 3 2 34 288.435 7 ↓

Analogs

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Popular Name: N-[[2-[[methyl-[(1S)-1-methylpropyl]amino]methyl]benzofuran-3-yl]methyl]cyclopropanamine N-[[2-[[methyl-[(1S)-1-methylpro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.37 9.91 -106.64 3 3 2 34 288.435 7 ↓

Analogs

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Popular Name: N-[[2-[[methyl(propyl)amino]methyl]benzofuran-3-yl]methyl]cyclopropanamine N-[[2-[[methyl(propyl)amino]meth…

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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) 3.04 9.89 -110.11 3 3 2 34 274.408 7 ↓

Analogs

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Popular Name: N-methyl-N-[[2-(methylaminomethyl)benzofuran-3-yl]methyl]cyclopropanamine N-methyl-N-[[2-(methylaminomethy…

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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) 2.16 8.17 -107.06 3 3 2 34 246.354 5 ↓
Hi High (pH 8-9.5) 2.16 5.7 -41.6 2 3 1 33 245.346 5 ↓

Analogs

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Popular Name: N-[[2-(ethylaminomethyl)benzofuran-3-yl]methyl]-N-methyl-cyclopropanamine N-[[2-(ethylaminomethyl)benzofur…

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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 9.03 -107.33 3 3 2 34 260.381 6 ↓
Hi High (pH 8-9.5) 2.53 6.56 -40.36 2 3 1 33 259.373 6 ↓

Analogs

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Popular Name: N-methyl-N-[[2-(propylaminomethyl)benzofuran-3-yl]methyl]cyclopropanamine N-methyl-N-[[2-(propylaminomethy…

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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) 3.04 9.78 -109.29 3 3 2 34 274.408 7 ↓
Hi High (pH 8-9.5) 3.04 7.32 -41.18 2 3 1 33 273.4 7 ↓

Analogs

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Popular Name: N-[[2-[(isopropylamino)methyl]benzofuran-3-yl]methyl]-N-methyl-cyclopropanamine N-[[2-[(isopropylamino)methyl]be…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.83 9.56 -106.6 3 3 2 34 274.408 6 ↓
Hi High (pH 8-9.5) 2.83 7.1 -38.63 2 3 1 33 273.4 6 ↓

Analogs

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Popular Name: N-[[2-[(tert-butylamino)methyl]benzofuran-3-yl]methyl]-N-methyl-cyclopropanamine N-[[2-[(tert-butylamino)methyl]b…

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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) 3.34 9.98 -103.45 3 3 2 34 288.435 6 ↓
Hi High (pH 8-9.5) 3.34 7.51 -36.43 2 3 1 33 287.427 6 ↓

Analogs

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Popular Name: N-[[2-[(isobutylamino)methyl]benzofuran-3-yl]methyl]-N-methyl-cyclopropanamine N-[[2-[(isobutylamino)methyl]ben…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.28 10.47 -110.66 3 3 2 34 288.435 7 ↓
Hi High (pH 8-9.5) 3.28 8 -40.85 2 3 1 33 287.427 7 ↓

Analogs

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Popular Name: N-[[2-(aminomethyl)benzofuran-3-yl]methyl]-N-methyl-cyclopropanamine N-[[2-(aminomethyl)benzofuran-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) 1.78 6.28 -113.37 4 3 2 45 232.327 4 ↓
Hi High (pH 8-9.5) 1.78 3.83 -47.62 3 3 1 44 231.319 4 ↓

Analogs

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Popular Name: N-[[2-[[ethyl(methyl)amino]methyl]benzofuran-3-yl]methyl]cyclopropanamine N-[[2-[[ethyl(methyl)amino]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) 2.53 9.15 -108.62 3 3 2 34 260.381 6 ↓

Analogs

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Popular Name: N-[[2-[[ethyl(isopropyl)amino]methyl]benzofuran-3-yl]methyl]cyclopropanamine N-[[2-[[ethyl(isopropyl)amino]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) 3.21 9.69 -101.16 3 3 2 34 288.435 7 ↓

Analogs

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Popular Name: N-[[2-[[ethyl(propyl)amino]methyl]benzofuran-3-yl]methyl]cyclopropanamine N-[[2-[[ethyl(propyl)amino]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) 3.41 10.62 -107.38 3 3 2 34 288.435 8 ↓

Analogs

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Popular Name: N-[[2-(methylaminomethyl)benzofuran-3-yl]methyl]-N-propyl-cyclopropanamine N-[[2-(methylaminomethyl)benzofu…

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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) 3.04 9.64 -108.87 3 3 2 34 274.408 7 ↓
Hi High (pH 8-9.5) 3.04 7.14 -42.53 2 3 1 33 273.4 7 ↓

Analogs

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Popular Name: N-[[2-(ethylaminomethyl)benzofuran-3-yl]methyl]-N-propyl-cyclopropanamine N-[[2-(ethylaminomethyl)benzofur…

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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 10.51 -109.09 3 3 2 34 288.435 8 ↓
Hi High (pH 8-9.5) 3.41 8 -41.31 2 3 1 33 287.427 8 ↓

Analogs

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Popular Name: N-[[2-(aminomethyl)benzofuran-3-yl]methyl]-N-propyl-cyclopropanamine N-[[2-(aminomethyl)benzofuran-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) 2.66 7.76 -115.37 4 3 2 45 260.381 6 ↓
Hi High (pH 8-9.5) 2.66 5.26 -48.68 3 3 1 44 259.373 6 ↓

Analogs

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Popular Name: N-ethyl-N-[[2-(methylaminomethyl)benzofuran-3-yl]methyl]cyclopropanamine N-ethyl-N-[[2-(methylaminomethyl…

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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 8.76 -106.56 3 3 2 34 260.381 6 ↓
Hi High (pH 8-9.5) 2.53 6.36 -41.32 2 3 1 33 259.373 6 ↓

Analogs

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Popular Name: N-ethyl-N-[[2-(ethylaminomethyl)benzofuran-3-yl]methyl]cyclopropanamine N-ethyl-N-[[2-(ethylaminomethyl)…

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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 9.74 -107.19 3 3 2 34 274.408 7 ↓
Hi High (pH 8-9.5) 2.91 7.28 -41.32 2 3 1 33 273.4 7 ↓

Analogs

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Popular Name: N-ethyl-N-[[2-(propylaminomethyl)benzofuran-3-yl]methyl]cyclopropanamine N-ethyl-N-[[2-(propylaminomethyl…

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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 10.38 -108.75 3 3 2 34 288.435 8 ↓
Hi High (pH 8-9.5) 3.41 7.96 -41.01 2 3 1 33 287.427 8 ↓

Analogs

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Popular Name: N-ethyl-N-[[2-[(isopropylamino)methyl]benzofuran-3-yl]methyl]cyclopropanamine N-ethyl-N-[[2-[(isopropylamino)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) 3.21 10.26 -104.61 3 3 2 34 288.435 7 ↓
Hi High (pH 8-9.5) 3.21 7.76 -37.95 2 3 1 33 287.427 7 ↓

Analogs

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Popular Name: N-[[2-(aminomethyl)benzofuran-3-yl]methyl]-N-ethyl-cyclopropanamine N-[[2-(aminomethyl)benzofuran-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) 2.16 6.89 -112.98 4 3 2 45 246.354 5 ↓
Hi High (pH 8-9.5) 2.16 4.49 -47.29 3 3 1 44 245.346 5 ↓

Analogs

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Popular Name: N-[[2-[[isobutyl(methyl)amino]methyl]benzofuran-3-yl]methyl]cyclopropanamine N-[[2-[[isobutyl(methyl)amino]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) 3.28 10.6 -110.16 3 3 2 34 288.435 7 ↓

Analogs

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Popular Name: N-[[2-(aminomethyl)benzofuran-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine N-[[2-(aminomethyl)benzofuran-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) 2.71 5.12 -38.76 3 3 1 44 299.316 6 ↓
Lo Low (pH 4.5-6) 2.71 7.16 -122.74 4 3 2 45 300.324 6 ↓

Analogs

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Popular Name: N-butyl-N-[[2-(methylaminomethyl)benzofuran-3-yl]methyl]cyclopropanamine N-butyl-N-[[2-(methylaminomethyl…

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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) 3.60 10.4 -109.83 3 3 2 34 288.435 8 ↓
Hi High (pH 8-9.5) 3.60 7.92 -42.64 2 3 1 33 287.427 8 ↓

Analogs

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Popular Name: N-[[2-(aminomethyl)benzofuran-3-yl]methyl]-N-butyl-cyclopropanamine N-[[2-(aminomethyl)benzofuran-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) 3.22 8.54 -116.37 4 3 2 45 274.408 7 ↓
Hi High (pH 8-9.5) 3.22 6.41 -47.72 3 3 1 44 273.4 7 ↓

Analogs

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Popular Name: N-isobutyl-N-[[2-(methylaminomethyl)benzofuran-3-yl]methyl]cyclopropanamine N-isobutyl-N-[[2-(methylaminomet…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.28 10.29 -108.86 3 3 2 34 288.435 7 ↓

Analogs

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Popular Name: N-[[2-(aminomethyl)benzofuran-3-yl]methyl]-N-isobutyl-cyclopropanamine N-[[2-(aminomethyl)benzofuran-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) 2.91 8.37 -114.19 4 3 2 45 274.408 6 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)benzofuran-3-yl]methyl]cyclopropanamine N-(2-methoxyethyl)-N-[[2-(methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.14 8.04 -105.48 3 4 2 43 290.407 8 ↓
Hi High (pH 8-9.5) 2.14 5.79 -40.98 2 4 1 42 289.399 8 ↓

Analogs

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Popular Name: N-[[2-(aminomethyl)benzofuran-3-yl]methyl]-N-(2-methoxyethyl)cyclopropanamine N-[[2-(aminomethyl)benzofuran-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) 1.77 6.16 -112.49 4 4 2 54 276.38 7 ↓
Hi High (pH 8-9.5) 1.77 3.5 -51.32 3 4 1 53 275.372 7 ↓

Analogs

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Popular Name: N-[[2-[[2-methoxyethyl(methyl)amino]methyl]benzofuran-3-yl]methyl]cyclopropanamine N-[[2-[[2-methoxyethyl(methyl)am…

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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 8.31 -104.23 3 4 2 43 290.407 8 ↓
Hi High (pH 8-9.5) 2.14 5.93 -39.7 2 4 1 42 289.399 8 ↓

Analogs

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Popular Name: 3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzofuran-2-carboxylic 3-[[cyclopropyl(2-hydroxyethyl)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) 1.54 6.06 -48.6 2 5 0 78 275.304 6 ↓

Parameters Provided:

ring.id = 15132
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 = 15132 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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