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Analogs

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Popular Name: N-(1H-imidazol-5-ylmethyl)cyclopropanamine N-(1H-imidazol-5-ylmethyl)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) 0.09 3.54 -33.81 3 3 1 45 138.194 3 ↓
Hi High (pH 8-9.5) 0.09 2.25 -7.48 2 3 0 41 137.186 3 ↓

Analogs

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Popular Name: (1S)-N-(1H-imidazol-5-ylmethyl)-2,2-dimethyl-cyclopropanamine (1S)-N-(1H-imidazol-5-ylmethyl)-…

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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) 0.65 4.96 -33.56 3 3 1 45 166.248 3 ↓

Analogs

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Popular Name: (1R)-N-(1H-imidazol-5-ylmethyl)-2,2-dimethyl-cyclopropanamine (1R)-N-(1H-imidazol-5-ylmethyl)-…

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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) 0.65 4.96 -33.59 3 3 1 45 166.248 3 ↓

Analogs

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Popular Name: (1S,2R)-N-(1H-imidazol-5-ylmethyl)-2-methyl-cyclopropanamine (1S,2R)-N-(1H-imidazol-5-ylmethy…

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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) 0.70 4.46 -33.26 3 3 1 45 152.221 3 ↓
Hi High (pH 8-9.5) 0.70 3.06 -6.18 2 3 0 41 151.213 3 ↓

Analogs

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Popular Name: (1S,2S)-N-(1H-imidazol-5-ylmethyl)-2-methyl-cyclopropanamine (1S,2S)-N-(1H-imidazol-5-ylmethy…

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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) 0.70 4.21 -33.83 3 3 1 45 152.221 3 ↓
Hi High (pH 8-9.5) 0.70 2.89 -6.15 2 3 0 41 151.213 3 ↓

Analogs

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Popular Name: (1R,2R)-N-(1H-imidazol-5-ylmethyl)-2-methyl-cyclopropanamine (1R,2R)-N-(1H-imidazol-5-ylmethy…

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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) 0.70 4.21 -33.93 3 3 1 45 152.221 3 ↓
Hi High (pH 8-9.5) 0.70 2.89 -6.27 2 3 0 41 151.213 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-(1H-imidazol-5-ylmethyl)-2-methyl-cyclopropanamine (1R,2S)-N-(1H-imidazol-5-ylmethy…

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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) 0.70 4.46 -33.51 3 3 1 45 152.221 3 ↓
Hi High (pH 8-9.5) 0.70 3.16 -6.06 2 3 0 41 151.213 3 ↓

Analogs

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Popular Name: N-[(4-methyl-1H-imidazol-5-yl)methyl]cyclopropanamine N-[(4-methyl-1H-imidazol-5-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) 0.31 4.08 -33.48 3 3 1 45 152.221 3 ↓
Hi High (pH 8-9.5) 0.31 2.78 -7.41 2 3 0 41 151.213 3 ↓
Lo Low (pH 4.5-6) 0.31 4.51 -96.52 4 3 2 47 153.229 3 ↓

Analogs

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Popular Name: (1R)-2,2-dimethyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]cyclopropanamine (1R)-2,2-dimethyl-N-[(4-methyl-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) 0.88 5.49 -33.2 3 3 1 45 180.275 3 ↓
Lo Low (pH 4.5-6) 0.88 5.93 -98.35 4 3 2 47 181.283 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2,2-dimethyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]cyclopropanamine (1S)-2,2-dimethyl-N-[(4-methyl-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) 0.88 5.49 -33.25 3 3 1 45 180.275 3 ↓
Lo Low (pH 4.5-6) 0.88 5.93 -98.35 4 3 2 47 181.283 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]cyclopropanamine (1R,2S)-2-methyl-N-[(4-methyl-1H…

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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) 0.92 5 -33.12 3 3 1 45 166.248 3 ↓
Hi High (pH 8-9.5) 0.92 3.59 -5.92 2 3 0 41 165.24 3 ↓
Lo Low (pH 4.5-6) 0.92 5.43 -97.15 4 3 2 47 167.256 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]cyclopropanamine (1S,2S)-2-methyl-N-[(4-methyl-1H…

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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) 0.92 4.75 -33.59 3 3 1 45 166.248 3 ↓
Hi High (pH 8-9.5) 0.92 3.43 -5.97 2 3 0 41 165.24 3 ↓
Lo Low (pH 4.5-6) 0.92 5.18 -97.84 4 3 2 47 167.256 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-methyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]cyclopropanamine (1R,2R)-2-methyl-N-[(4-methyl-1H…

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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) 0.92 4.75 -33.6 3 3 1 45 166.248 3 ↓
Hi High (pH 8-9.5) 0.92 3.42 -5.86 2 3 0 41 165.24 3 ↓
Lo Low (pH 4.5-6) 0.92 5.18 -97.84 4 3 2 47 167.256 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-methyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]cyclopropanamine (1S,2R)-2-methyl-N-[(4-methyl-1H…

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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) 0.92 5 -32.96 3 3 1 45 166.248 3 ↓
Hi High (pH 8-9.5) 0.92 3.7 -5.86 2 3 0 41 165.24 3 ↓
Lo Low (pH 4.5-6) 0.92 5.43 -97.18 4 3 2 47 167.256 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-methyl-1H-imidazol-4-yl)methyl]cyclopropanamine N-[(2-methyl-1H-imidazol-4-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) 0.18 3.4 -33.8 3 3 1 45 152.221 3 ↓
Hi High (pH 8-9.5) 0.18 2.1 -7.52 2 3 0 41 151.213 3 ↓
Lo Low (pH 4.5-6) 0.18 3.84 -95.74 4 3 2 47 153.229 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2,2-dimethyl-N-[(2-methyl-1H-imidazol-4-yl)methyl]cyclopropanamine (1R)-2,2-dimethyl-N-[(2-methyl-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) 0.74 4.82 -33.54 3 3 1 45 180.275 3 ↓
Lo Low (pH 4.5-6) 0.74 5.26 -97.63 4 3 2 47 181.283 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2,2-dimethyl-N-[(2-methyl-1H-imidazol-4-yl)methyl]cyclopropanamine (1S)-2,2-dimethyl-N-[(2-methyl-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) 0.74 4.82 -33.56 3 3 1 45 180.275 3 ↓
Lo Low (pH 4.5-6) 0.74 5.26 -97.5 4 3 2 47 181.283 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-methyl-N-[(2-methyl-1H-imidazol-4-yl)methyl]cyclopropanamine (1R,2S)-2-methyl-N-[(2-methyl-1H…

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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) 0.79 4.32 -33.53 3 3 1 45 166.248 3 ↓
Hi High (pH 8-9.5) 0.79 2.92 -5.32 2 3 0 41 165.24 3 ↓
Lo Low (pH 4.5-6) 0.79 4.76 -96.39 4 3 2 47 167.256 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methyl-N-[(2-methyl-1H-imidazol-4-yl)methyl]cyclopropanamine (1S,2S)-2-methyl-N-[(2-methyl-1H…

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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) 0.79 4.07 -33.86 3 3 1 45 166.248 3 ↓
Hi High (pH 8-9.5) 0.79 2.75 -5.44 2 3 0 41 165.24 3 ↓
Lo Low (pH 4.5-6) 0.79 4.51 -96.94 4 3 2 47 167.256 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-methyl-N-[(2-methyl-1H-imidazol-4-yl)methyl]cyclopropanamine (1R,2R)-2-methyl-N-[(2-methyl-1H…

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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) 0.79 4.07 -33.91 3 3 1 45 166.248 3 ↓
Hi High (pH 8-9.5) 0.79 2.74 -5.37 2 3 0 41 165.24 3 ↓
Lo Low (pH 4.5-6) 0.79 4.51 -97.06 4 3 2 47 167.256 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-methyl-N-[(2-methyl-1H-imidazol-4-yl)methyl]cyclopropanamine (1S,2R)-2-methyl-N-[(2-methyl-1H…

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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) 0.79 4.32 -33.26 3 3 1 45 166.248 3 ↓
Hi High (pH 8-9.5) 0.79 3.02 -5.34 2 3 0 41 165.24 3 ↓
Lo Low (pH 4.5-6) 0.79 4.76 -96.29 4 3 2 47 167.256 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(2-methoxyethyl)-1H-imidazol-4-yl]methyl]cyclopropanamine N-[[2-(2-methoxyethyl)-1H-imidaz…

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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) 0.36 3.08 -35.53 3 4 1 55 196.274 6 ↓
Hi High (pH 8-9.5) 0.36 1.79 -7.47 2 4 0 50 195.266 6 ↓
Lo Low (pH 4.5-6) 0.36 3.52 -100.62 4 4 2 56 197.282 6 ↓

Analogs

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Popular Name: N-[[2-(2,2,2-trifluoroethyl)-1H-imidazol-4-yl]methyl]cyclopropanamine N-[[2-(2,2,2-trifluoroethyl)-1H-…

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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) 1.30 4.51 -38.32 3 3 1 45 220.218 5 ↓
Hi High (pH 8-9.5) 1.30 3.22 -9.86 2 3 0 41 219.21 5 ↓

Analogs

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Popular Name: N-[(2-isopentyl-1H-imidazol-4-yl)methyl]cyclopropanamine N-[(2-isopentyl-1H-imidazol-4-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) 2.03 6.09 -33.77 3 3 1 45 208.329 6 ↓
Hi High (pH 8-9.5) 2.03 4.79 -6.79 2 3 0 41 207.321 6 ↓
Lo Low (pH 4.5-6) 2.03 6.51 -99.81 4 3 2 47 209.337 6 ↓

Analogs

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Popular Name: N-[[2-(methoxymethyl)-1H-imidazol-4-yl]methyl]cyclopropanamine N-[[2-(methoxymethyl)-1H-imidazo…

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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) 0.15 2.53 -34.36 3 4 1 55 182.247 5 ↓
Hi High (pH 8-9.5) 0.15 1.24 -6.53 2 4 0 50 181.239 5 ↓

Analogs

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Popular Name: N-[[2-(propoxymethyl)-1H-imidazol-4-yl]methyl]cyclopropanamine N-[[2-(propoxymethyl)-1H-imidazo…

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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) 1.03 4.3 -34.09 3 4 1 55 210.301 7 ↓
Hi High (pH 8-9.5) 1.03 3 -6.08 2 4 0 50 209.293 7 ↓

Analogs

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Popular Name: N-[[2-(methylsulfonylmethyl)-1H-imidazol-4-yl]methyl]cyclopropanamine N-[[2-(methylsulfonylmethyl)-1H-…

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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) -0.44 0.77 -43.77 3 5 1 79 230.313 5 ↓
Hi High (pH 8-9.5) -0.44 0.32 -41.79 2 5 0 78 229.305 5 ↓
Hi High (pH 8-9.5) -0.44 -0.55 -17.3 2 5 0 75 229.305 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-ethyl-1H-imidazol-4-yl)methyl]cyclopropanamine N-[(2-ethyl-1H-imidazol-4-yl)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) 0.75 4.02 -33.74 3 3 1 45 166.248 4 ↓
Hi High (pH 8-9.5) 0.75 2.73 -7.2 2 3 0 41 165.24 4 ↓
Lo Low (pH 4.5-6) 0.75 4.45 -96.6 4 3 2 47 167.256 4 ↓

Analogs

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Popular Name: N-[(2-isopropyl-1H-imidazol-4-yl)methyl]cyclopropanamine N-[(2-isopropyl-1H-imidazol-4-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) 1.23 4.59 -33.55 3 3 1 45 180.275 4 ↓
Hi High (pH 8-9.5) 1.23 3.3 -6.96 2 3 0 41 179.267 4 ↓
Lo Low (pH 4.5-6) 1.23 5.03 -96.73 4 3 2 47 181.283 4 ↓

Analogs

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Popular Name: N-[(2-propyl-1H-imidazol-4-yl)methyl]cyclopropanamine N-[(2-propyl-1H-imidazol-4-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) 1.25 4.79 -33.73 3 3 1 45 180.275 5 ↓
Hi High (pH 8-9.5) 1.25 3.5 -7.01 2 3 0 41 179.267 5 ↓
Lo Low (pH 4.5-6) 1.25 5.22 -97.97 4 3 2 47 181.283 5 ↓

Analogs

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Popular Name: N-[[2-(2-diethylaminoethyl)-1H-imidazol-4-yl]methyl]cyclopropanamine N-[[2-(2-diethylaminoethyl)-1H-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) 1.16 6.69 -81.48 4 4 2 50 238.379 8 ↓

Analogs

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Popular Name: N-[(2-isobutyl-1H-imidazol-4-yl)methyl]cyclopropanamine N-[(2-isobutyl-1H-imidazol-4-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) 1.50 5.14 -33.46 3 3 1 45 194.302 5 ↓
Hi High (pH 8-9.5) 1.50 3.84 -6.78 2 3 0 41 193.294 5 ↓
Lo Low (pH 4.5-6) 1.50 5.71 -98.73 4 3 2 47 195.31 5 ↓

Analogs

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Popular Name: N-[(2-tert-butyl-1H-imidazol-4-yl)methyl]cyclopropanamine N-[(2-tert-butyl-1H-imidazol-4-y…

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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) 1.90 5.14 -33.35 3 3 1 45 194.302 4 ↓
Hi High (pH 8-9.5) 1.90 3.85 -6.78 2 3 0 41 193.294 4 ↓
Lo Low (pH 4.5-6) 1.90 5.48 -96.77 4 3 2 47 195.31 4 ↓

Analogs

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Popular Name: 2-[4-[(cyclopropylamino)methyl]-1H-imidazol-2-yl]acetamide 2-[4-[(cyclopropylamino)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) -0.89 0.11 -40.73 5 5 1 88 195.246 5 ↓
Hi High (pH 8-9.5) -0.89 -1.19 -16.53 4 5 0 84 194.238 5 ↓

Analogs

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Popular Name: N-[[2-(methylsulfanylmethyl)-1H-imidazol-4-yl]methyl]cyclopropanamine N-[[2-(methylsulfanylmethyl)-1H-…

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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) 0.69 4.44 -35.08 3 3 1 45 198.315 5 ↓
Hi High (pH 8-9.5) 0.69 3.15 -8.49 2 3 0 41 197.307 5 ↓

Parameters Provided:

ring.id = 152458
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 = 152458 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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