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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: 1-[(3R)-1-ethylpyrrolidin-3-yl]-N-(1H-imidazol-5-ylmethyl)methanamine 1-[(3R)-1-ethylpyrrolidin-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) 0.63 4.99 -77.58 4 4 2 46 210.325 5 ↓
Mid Mid (pH 6-8) 0.63 4.53 -35.09 3 4 1 45 209.317 5 ↓

Analogs

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Popular Name: 1-[(3S)-1-ethylpyrrolidin-3-yl]-N-(1H-imidazol-5-ylmethyl)methanamine 1-[(3S)-1-ethylpyrrolidin-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) 0.63 5.06 -77.06 4 4 2 46 210.325 5 ↓
Mid Mid (pH 6-8) 0.63 4.6 -35.21 3 4 1 45 209.317 5 ↓

Analogs

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Popular Name: N-(1H-imidazol-5-ylmethyl)-1-[(3R)-1-methylpyrrolidin-3-yl]methanamine N-(1H-imidazol-5-ylmethyl)-1-[(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) 0.26 4.27 -77.64 4 4 2 46 196.298 4 ↓
Mid Mid (pH 6-8) 0.26 3.81 -36.08 3 4 1 45 195.29 4 ↓

Analogs

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Popular Name: N-(1H-imidazol-5-ylmethyl)-1-[(3S)-1-methylpyrrolidin-3-yl]methanamine N-(1H-imidazol-5-ylmethyl)-1-[(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) 0.26 4.34 -77.31 4 4 2 46 196.298 4 ↓
Mid Mid (pH 6-8) 0.26 3.88 -36.19 3 4 1 45 195.29 4 ↓

Analogs

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Popular Name: 1-(1H-imidazol-5-yl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine 1-(1H-imidazol-5-yl)-N-[[(3S)-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) 1.18 3.86 -44.67 3 4 1 49 263.287 6 ↓
Hi High (pH 8-9.5) 1.18 2.48 -9.24 2 4 0 44 262.279 6 ↓

Analogs

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Popular Name: 1-(1H-imidazol-5-yl)-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine 1-(1H-imidazol-5-yl)-N-[[(3R)-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) 1.18 3.82 -44.57 3 4 1 49 263.287 6 ↓
Hi High (pH 8-9.5) 1.18 2.47 -9.31 2 4 0 44 262.279 6 ↓

Analogs

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Popular Name: N-(1H-imidazol-5-ylmethyl)-1-[(3R)-1-isopropylpyrrolidin-3-yl]methanamine N-(1H-imidazol-5-ylmethyl)-1-[(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) 0.93 5.48 -76.9 4 4 2 46 224.352 5 ↓
Mid Mid (pH 6-8) 0.93 5.02 -33.84 3 4 1 45 223.344 5 ↓

Analogs

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Popular Name: N-(1H-imidazol-5-ylmethyl)-1-[(3S)-1-isopropylpyrrolidin-3-yl]methanamine N-(1H-imidazol-5-ylmethyl)-1-[(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) 0.93 5.56 -76.25 4 4 2 46 224.352 5 ↓
Mid Mid (pH 6-8) 0.93 5.09 -34.01 3 4 1 45 223.344 5 ↓

Analogs

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Popular Name: 1-[(3R)-1-ethylpyrrolidin-3-yl]-N-[(4-methyl-1H-imidazol-5-yl)methyl]methanamine 1-[(3R)-1-ethylpyrrolidin-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) 0.85 5.54 -77.02 4 4 2 46 224.352 5 ↓
Mid Mid (pH 6-8) 0.85 5.03 -37.28 3 4 1 45 223.344 5 ↓

Analogs

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Popular Name: 1-[(3S)-1-ethylpyrrolidin-3-yl]-N-[(4-methyl-1H-imidazol-5-yl)methyl]methanamine 1-[(3S)-1-ethylpyrrolidin-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) 0.85 5.61 -76.28 4 4 2 46 224.352 5 ↓
Mid Mid (pH 6-8) 0.85 5.1 -36.36 3 4 1 45 223.344 5 ↓

Analogs

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Popular Name: 1-(4-methyl-1H-imidazol-5-yl)-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]methanamine 1-(4-methyl-1H-imidazol-5-yl)-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) 0.48 4.85 -76.95 4 4 2 46 210.325 4 ↓
Mid Mid (pH 6-8) 0.48 4.34 -38.03 3 4 1 45 209.317 4 ↓

Analogs

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Popular Name: 1-(4-methyl-1H-imidazol-5-yl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]methanamine 1-(4-methyl-1H-imidazol-5-yl)-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) 0.48 4.85 -76.71 4 4 2 46 210.325 4 ↓
Mid Mid (pH 6-8) 0.48 4.36 -37.11 3 4 1 45 209.317 4 ↓

Analogs

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Popular Name: 1-(4-methyl-1H-imidazol-5-yl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine 1-(4-methyl-1H-imidazol-5-yl)-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) 1.40 4.38 -44.64 3 4 1 49 277.314 6 ↓
Hi High (pH 8-9.5) 1.40 3.02 -9.24 2 4 0 44 276.306 6 ↓
Lo Low (pH 4.5-6) 1.40 4.82 -112.32 4 4 2 50 278.322 6 ↓

Analogs

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Popular Name: 1-(4-methyl-1H-imidazol-5-yl)-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine 1-(4-methyl-1H-imidazol-5-yl)-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) 1.40 4.29 -44.42 3 4 1 49 277.314 6 ↓
Hi High (pH 8-9.5) 1.40 2.96 -8.97 2 4 0 44 276.306 6 ↓
Lo Low (pH 4.5-6) 1.40 4.74 -112.05 4 4 2 50 278.322 6 ↓

Analogs

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Popular Name: N-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]-1-(4-methyl-1H-imidazol-5-yl)methanamine N-[[(3S)-1-isopropylpyrrolidin-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) 1.15 6.03 -75.86 4 4 2 46 238.379 5 ↓
Mid Mid (pH 6-8) 1.15 5.52 -35.86 3 4 1 45 237.371 5 ↓

Analogs

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Popular Name: N-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]-1-(4-methyl-1H-imidazol-5-yl)methanamine N-[[(3R)-1-isopropylpyrrolidin-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) 1.15 6.09 -75.61 4 4 2 46 238.379 5 ↓
Mid Mid (pH 6-8) 1.15 5.59 -35.01 3 4 1 45 237.371 5 ↓

Analogs

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Popular Name: 1-[(3R)-1-ethylpyrrolidin-3-yl]-N-[(2-methyl-1H-imidazol-4-yl)methyl]methanamine 1-[(3R)-1-ethylpyrrolidin-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) 0.72 4.8 -74.38 4 4 2 46 224.352 5 ↓
Mid Mid (pH 6-8) 0.72 4.38 -35.09 3 4 1 45 223.344 5 ↓

Analogs

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Popular Name: 1-[(3S)-1-ethylpyrrolidin-3-yl]-N-[(2-methyl-1H-imidazol-4-yl)methyl]methanamine 1-[(3S)-1-ethylpyrrolidin-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) 0.72 4.87 -73.65 4 4 2 46 224.352 5 ↓
Mid Mid (pH 6-8) 0.72 4.46 -35.25 3 4 1 45 223.344 5 ↓

Analogs

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Popular Name: 1-(2-methyl-1H-imidazol-4-yl)-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]methanamine 1-(2-methyl-1H-imidazol-4-yl)-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) 0.34 4.08 -74.2 4 4 2 46 210.325 4 ↓
Mid Mid (pH 6-8) 0.34 3.67 -37.72 3 4 1 45 209.317 4 ↓

Analogs

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Popular Name: 1-(2-methyl-1H-imidazol-4-yl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]methanamine 1-(2-methyl-1H-imidazol-4-yl)-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) 0.34 4.11 -73.94 4 4 2 46 210.325 4 ↓
Mid Mid (pH 6-8) 0.34 3.7 -37.08 3 4 1 45 209.317 4 ↓

Analogs

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Popular Name: 1-(2-methyl-1H-imidazol-4-yl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine 1-(2-methyl-1H-imidazol-4-yl)-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) 1.27 3.71 -44.73 3 4 1 49 277.314 6 ↓
Hi High (pH 8-9.5) 1.27 2.34 -9.29 2 4 0 44 276.306 6 ↓
Lo Low (pH 4.5-6) 1.27 4.15 -111.54 4 4 2 50 278.322 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methyl-1H-imidazol-4-yl)-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanamine 1-(2-methyl-1H-imidazol-4-yl)-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) 1.27 3.68 -44.64 3 4 1 49 277.314 6 ↓
Hi High (pH 8-9.5) 1.27 2.33 -9.34 2 4 0 44 276.306 6 ↓
Lo Low (pH 4.5-6) 1.27 4.12 -111.09 4 4 2 50 278.322 6 ↓

Analogs

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Popular Name: N-[[(3S)-1-isopropylpyrrolidin-3-yl]methyl]-1-(2-methyl-1H-imidazol-4-yl)methanamine N-[[(3S)-1-isopropylpyrrolidin-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) 1.02 5.26 -73.17 4 4 2 46 238.379 5 ↓
Mid Mid (pH 6-8) 1.02 4.85 -35.52 3 4 1 45 237.371 5 ↓

Analogs

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Popular Name: N-[[(3R)-1-isopropylpyrrolidin-3-yl]methyl]-1-(2-methyl-1H-imidazol-4-yl)methanamine N-[[(3R)-1-isopropylpyrrolidin-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) 1.02 5.26 -72.92 4 4 2 46 238.379 5 ↓
Mid Mid (pH 6-8) 1.02 4.84 -34.54 3 4 1 45 237.371 5 ↓

Analogs

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Popular Name: N-[[(3S)-1-isobutylpyrrolidin-3-yl]methyl]-N-methyl-1-[(4R)-4-methyl-4H-imidazol-5-yl]methanamine N-[[(3S)-1-isobutylpyrrolidin-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) 1.84 7.98 -79.34 3 4 2 38 266.433 6 ↓
Mid Mid (pH 6-8) 1.84 7.12 -35.28 2 4 1 36 265.425 6 ↓

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