UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: ethyl 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) 0.82 10.03 -46.71 1 8 1 94 297.335 7 ↓
Mid Mid (pH 6-8) 0.82 8.18 -14.4 0 8 0 93 296.327 7 ↓

Analogs

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Popular Name: ethyl 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) 0.82 10.06 -42.14 1 8 1 94 297.335 7 ↓
Mid Mid (pH 6-8) 0.82 8.19 -8.62 0 8 0 93 296.327 7 ↓

Analogs

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Popular Name: N-[[(2S)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]ethanamine N-[[(2S)-1-[2-(2-methylimidazol-…

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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 6.59 -86.82 3 4 2 39 238.379 6 ↓
Mid Mid (pH 6-8) 0.31 7.9 -129.41 3 4 2 39 238.379 6 ↓
Mid Mid (pH 6-8) 0.31 6.11 -44.57 2 4 1 38 237.371 6 ↓

Analogs

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Popular Name: N-[[(2R)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]ethanamine N-[[(2R)-1-[2-(2-methylimidazol-…

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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 6.59 -83.12 3 4 2 39 238.379 6 ↓
Mid Mid (pH 6-8) 0.31 7.94 -127.46 3 4 2 39 238.379 6 ↓
Mid Mid (pH 6-8) 0.31 6.11 -42.99 2 4 1 38 237.371 6 ↓

Analogs

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Popular Name: N-[[(2S)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2S)-1-[2-(2-methylimidazol-…

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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) 0.82 7.34 -88.62 3 4 2 39 252.406 7 ↓
Mid Mid (pH 6-8) 0.82 8.65 -132.22 3 4 2 39 252.406 7 ↓
Mid Mid (pH 6-8) 0.82 6.86 -45.49 2 4 1 38 251.398 7 ↓

Analogs

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Popular Name: N-[[(2R)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2R)-1-[2-(2-methylimidazol-…

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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) 0.82 7.34 -84.67 3 4 2 39 252.406 7 ↓
Mid Mid (pH 6-8) 0.82 8.69 -130.09 3 4 2 39 252.406 7 ↓
Mid Mid (pH 6-8) 0.82 6.87 -43.89 2 4 1 38 251.398 7 ↓

Analogs

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Popular Name: N-[[(2R)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2R)-1-[2-(2-methylimidazol-…

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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) 0.96 7.13 -82.48 3 4 2 39 252.406 6 ↓
Hi High (pH 8-9.5) 0.96 6.65 -41.86 2 4 1 38 251.398 6 ↓
Mid Mid (pH 6-8) 0.96 8.45 -126.79 3 4 2 39 252.406 6 ↓

Analogs

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Popular Name: N-[[(2S)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2S)-1-[2-(2-methylimidazol-…

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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) 0.96 7.14 -86.4 3 4 2 39 252.406 6 ↓
Hi High (pH 8-9.5) 0.96 6.66 -43.29 2 4 1 38 251.398 6 ↓
Mid Mid (pH 6-8) 0.96 8.48 -128.58 3 4 2 39 252.406 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[(2R)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]propan-2-amine 2-methyl-N-[[(2R)-1-[2-(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) 1.47 7.55 -81.79 3 4 2 39 266.433 6 ↓
Hi High (pH 8-9.5) 1.47 7.08 -40.57 2 4 1 38 265.425 6 ↓
Mid Mid (pH 6-8) 1.47 8.87 -126.11 3 4 2 39 266.433 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[(2S)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]propan-2-amine 2-methyl-N-[[(2S)-1-[2-(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) 1.47 7.58 -85.59 3 4 2 39 266.433 6 ↓
Hi High (pH 8-9.5) 1.47 7.1 -41.78 2 4 1 38 265.425 6 ↓
Mid Mid (pH 6-8) 1.47 8.91 -127.19 3 4 2 39 266.433 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[(2R)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]propan-1-amine 2-methyl-N-[[(2R)-1-[2-(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) 1.06 8.05 -85.06 3 4 2 39 266.433 7 ↓
Hi High (pH 8-9.5) 1.06 7.57 -43.97 2 4 1 38 265.425 7 ↓
Mid Mid (pH 6-8) 1.06 9.37 -131.39 3 4 2 39 266.433 7 ↓

Analogs

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Popular Name: 2-methyl-N-[[(2S)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]propan-1-amine 2-methyl-N-[[(2S)-1-[2-(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) 1.06 8.05 -88.96 3 4 2 39 266.433 7 ↓
Hi High (pH 8-9.5) 1.06 7.58 -45.23 2 4 1 38 265.425 7 ↓
Mid Mid (pH 6-8) 1.06 9.39 -132.82 3 4 2 39 266.433 7 ↓

Analogs

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Popular Name: 2-methoxy-N-[[(2R)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]ethanamine 2-methoxy-N-[[(2R)-1-[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) -0.08 5 -46.08 2 5 1 44 267.397 8 ↓
Hi High (pH 8-9.5) -0.08 4.09 -43.1 2 5 1 47 267.397 8 ↓
Hi High (pH 8-9.5) -0.08 2.64 -7.71 1 5 0 42 266.389 8 ↓

Analogs

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Popular Name: 2-methoxy-N-[[(2S)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]ethanamine 2-methoxy-N-[[(2S)-1-[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) -0.08 5.66 -44.44 2 5 1 44 267.397 8 ↓
Hi High (pH 8-9.5) -0.08 5.28 -43.99 2 5 1 47 267.397 8 ↓
Hi High (pH 8-9.5) -0.08 3.88 -7.24 1 5 0 42 266.389 8 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[2-(2-methylimid…

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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) 0.10 7.99 -57.11 1 5 0 62 237.303 4 ↓
Mid Mid (pH 6-8) 0.10 8.47 -96.03 2 5 1 64 238.311 4 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[2-(2-methylimid…

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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) 0.10 8.01 -60.11 1 5 0 62 237.303 4 ↓
Mid Mid (pH 6-8) 0.10 8.48 -97.46 2 5 1 64 238.311 4 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pyrrolidine-3-carboxylic (3R)-3-methyl-1-[2-(2-methyl-5-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) 0.19 9.5 -53.73 1 8 0 108 282.3 5 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pyrrolidine-3-carboxylic (3S)-3-methyl-1-[2-(2-methyl-5-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) 0.19 9.5 -61.48 1 8 0 108 282.3 5 ↓

Analogs

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Popular Name: (3S)-1-(2-imidazol-1-ylethyl)-3-methyl-pyrrolidine-3-carboxylic (3S)-1-(2-imidazol-1-ylethyl)-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) 0.02 8.21 -60.11 1 5 0 62 223.276 4 ↓
Lo Low (pH 4.5-6) 0.02 8.72 -102.03 2 5 1 64 224.284 4 ↓

Analogs

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Popular Name: (3R)-1-(2-imidazol-1-ylethyl)-3-methyl-pyrrolidine-3-carboxylic (3R)-1-(2-imidazol-1-ylethyl)-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) 0.02 8.18 -56.79 1 5 0 62 223.276 4 ↓
Lo Low (pH 4.5-6) 0.02 8.69 -99.46 2 5 1 64 224.284 4 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[2-(2-methylimida…

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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 8.49 -51.71 1 5 0 62 251.33 5 ↓
Mid Mid (pH 6-8) 0.44 8.97 -90.83 2 5 1 64 252.338 5 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[2-(2-methylimida…

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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 8.46 -58.63 1 5 0 62 251.33 5 ↓
Mid Mid (pH 6-8) 0.44 8.94 -95.04 2 5 1 64 252.338 5 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[2-(2-methyl-5-ni…

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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) 0.52 9.99 -46.57 1 8 0 108 296.327 6 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]pyrrolidine-3-carboxylic (3R)-3-ethyl-1-[2-(2-methyl-5-ni…

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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) 0.52 9.94 -58.64 1 8 0 108 296.327 6 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(2-imidazol-1-ylethyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(2-imidazol-1-yle…

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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) 0.35 8.72 -51.23 1 5 0 62 237.303 5 ↓
Lo Low (pH 4.5-6) 0.35 9.23 -94.9 2 5 1 64 238.311 5 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(2-imidazol-1-ylethyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(2-imidazol-1-yle…

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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) 0.35 8.67 -58.78 1 5 0 62 237.303 5 ↓
Lo Low (pH 4.5-6) 0.35 9.18 -99.04 2 5 1 64 238.311 5 ↓

Analogs

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Popular Name: (3S)-1-[2-(2-methylimidazol-1-yl)ethyl]-3-propyl-pyrrolidine-3-carboxylic (3S)-1-[2-(2-methylimidazol-1-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) 1.00 9.26 -51.65 1 5 0 62 265.357 6 ↓
Mid Mid (pH 6-8) 1.00 9.73 -90.83 2 5 1 64 266.365 6 ↓

Analogs

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Popular Name: (3R)-1-[2-(2-methylimidazol-1-yl)ethyl]-3-propyl-pyrrolidine-3-carboxylic (3R)-1-[2-(2-methylimidazol-1-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) 1.00 9.2 -58.76 1 5 0 62 265.357 6 ↓
Mid Mid (pH 6-8) 1.00 9.68 -95.16 2 5 1 64 266.365 6 ↓

Analogs

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Popular Name: (3S)-1-(2-imidazol-1-ylethyl)-3-propyl-pyrrolidine-3-carboxylic (3S)-1-(2-imidazol-1-ylethyl)-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) 0.91 9.53 -57.38 1 5 0 62 251.33 6 ↓
Lo Low (pH 4.5-6) 0.91 10.04 -96.71 2 5 1 64 252.338 6 ↓

Analogs

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Popular Name: (3R)-1-(2-imidazol-1-ylethyl)-3-propyl-pyrrolidine-3-carboxylic (3R)-1-(2-imidazol-1-ylethyl)-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) 0.91 9.43 -58.86 1 5 0 62 251.33 6 ↓
Lo Low (pH 4.5-6) 0.91 9.94 -99.21 2 5 1 64 252.338 6 ↓

Analogs

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Popular Name: [(3R)-1-[(1S)-2-imidazol-1-yl-1-methyl-ethyl]pyrrolidin-3-yl]methanamine [(3R)-1-[(1S)-2-imidazol-1-yl-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) -0.34 3.43 -84.04 4 4 2 50 210.325 4 ↓
Mid Mid (pH 6-8) -0.34 5.41 -115.81 4 4 2 50 210.325 4 ↓
Mid Mid (pH 6-8) -0.34 5.92 -175.59 5 4 3 51 211.333 4 ↓

Analogs

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Popular Name: [(3R)-1-[(1R)-2-imidazol-1-yl-1-methyl-ethyl]pyrrolidin-3-yl]methanamine [(3R)-1-[(1R)-2-imidazol-1-yl-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) -0.34 3.68 -83.84 4 4 2 50 210.325 4 ↓
Mid Mid (pH 6-8) -0.34 5.59 -116.27 4 4 2 50 210.325 4 ↓
Mid Mid (pH 6-8) -0.34 6.1 -177.5 5 4 3 51 211.333 4 ↓

Analogs

44721573
44721573
44721576
44721576
45696981
45696981
45699264
45699264
43434722
43434722

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Popular Name: [(2R)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methanamine [(2R)-1-[2-(2-methylimidazol-1-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) -0.69 3.87 -88.66 4 4 2 50 210.325 4 ↓
Hi High (pH 8-9.5) -0.69 3.39 -48.96 3 4 1 49 209.317 4 ↓
Lo Low (pH 4.5-6) -0.69 5.66 -198.34 5 4 3 51 211.333 4 ↓

Analogs

44721573
44721573
44721576
44721576
45696981
45696981
45699264
45699264
43434722
43434722

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Popular Name: [(2S)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]methanamine [(2S)-1-[2-(2-methylimidazol-1-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) -0.69 3.88 -93 4 4 2 50 210.325 4 ↓
Hi High (pH 8-9.5) -0.69 3.41 -50.67 3 4 1 49 209.317 4 ↓

Analogs

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Popular Name: (2R)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylic (2R)-1-[2-(2-methylimidazol-1-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) -1.71 7.24 -45.95 1 5 0 62 223.276 4 ↓
Mid Mid (pH 6-8) -1.71 7.71 -66.66 2 5 1 64 224.284 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylic (2S)-1-[2-(2-methylimidazol-1-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) -1.71 7.58 -41.58 1 5 0 62 223.276 4 ↓
Mid Mid (pH 6-8) -1.71 8.05 -73.96 2 5 1 64 224.284 4 ↓

Analogs

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Popular Name: 2-[(2R)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]acetic 2-[(2R)-1-[2-(2-methylimidazol-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) 0.02 7.8 -59.02 1 5 0 62 237.303 5 ↓
Mid Mid (pH 6-8) 0.02 8.27 -92.75 2 5 1 64 238.311 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-2-yl]acetic 2-[(2S)-1-[2-(2-methylimidazol-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) 0.02 8.23 -41.86 1 5 0 62 237.303 5 ↓
Mid Mid (pH 6-8) 0.02 8.7 -65.41 2 5 1 64 238.311 5 ↓

Parameters Provided:

ring.id = 9668
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 = 9668 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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