UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[(1R)-1-[[(1R,2S)-2-imidazol-1-ylcyclopentyl]amino]ethyl]-5-methyl-phenol 2-[(1R)-1-[[(1R,2S)-2-imidazol-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) 2.98 9.21 -105.04 4 4 2 56 287.407 4 ↓
Mid Mid (pH 6-8) 2.98 8.07 -38.79 3 4 1 55 286.399 4 ↓

Analogs

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Popular Name: 2-[(1S)-1-[[(1R,2S)-2-imidazol-1-ylcyclopentyl]amino]ethyl]-5-methyl-phenol 2-[(1S)-1-[[(1R,2S)-2-imidazol-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) 2.98 9.05 -103.69 4 4 2 56 287.407 4 ↓
Mid Mid (pH 6-8) 2.98 7.91 -36.5 3 4 1 55 286.399 4 ↓

Analogs

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Popular Name: 2-[(1R)-1-[[(1S,2S)-2-imidazol-1-ylcyclopentyl]amino]ethyl]-5-methyl-phenol 2-[(1R)-1-[[(1S,2S)-2-imidazol-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) 2.98 8.32 -104.72 4 4 2 56 287.407 4 ↓
Mid Mid (pH 6-8) 2.98 7.58 -48.85 3 4 1 55 286.399 4 ↓

Analogs

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Popular Name: 2-[(1S)-1-[[(1S,2S)-2-imidazol-1-ylcyclopentyl]amino]ethyl]-5-methyl-phenol 2-[(1S)-1-[[(1S,2S)-2-imidazol-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) 2.98 8.54 -105.33 4 4 2 56 287.407 4 ↓
Mid Mid (pH 6-8) 2.98 7.8 -47.39 3 4 1 55 286.399 4 ↓

Analogs

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Popular Name: 2-[[[(1R,2S)-2-imidazol-1-ylcyclopentyl]amino]methyl]-4-methoxy-phenol 2-[[[(1R,2S)-2-imidazol-1-ylcycl…

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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 7.22 -99.76 4 5 2 65 289.379 5 ↓
Mid Mid (pH 6-8) 2.03 6.08 -41.72 3 5 1 64 288.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(1S,2S)-2-imidazol-1-ylcyclopentyl]amino]methyl]-4-methoxy-phenol 2-[[[(1S,2S)-2-imidazol-1-ylcycl…

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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 6.48 -100.61 4 5 2 65 289.379 5 ↓
Mid Mid (pH 6-8) 2.03 5.74 -46.91 3 5 1 64 288.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(1R,2R)-2-imidazol-1-ylcyclopentyl]amino]methyl]-4-methoxy-phenol 2-[[[(1R,2R)-2-imidazol-1-ylcycl…

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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 6.48 -100.92 4 5 2 65 289.379 5 ↓
Mid Mid (pH 6-8) 2.03 5.74 -47.01 3 5 1 64 288.371 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[[(1S,2R)-2-imidazol-1-ylcyclopentyl]amino]methyl]-4-methoxy-phenol 2-[[[(1S,2R)-2-imidazol-1-ylcycl…

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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 6.88 -100.03 4 5 2 65 289.379 5 ↓
Mid Mid (pH 6-8) 2.03 5.77 -42.53 3 5 1 64 288.371 5 ↓

Analogs

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Popular Name: (1R,2S)-2-imidazol-1-yl-N-[(3-nitrophenyl)methyl]cyclopentanamine (1R,2S)-2-imidazol-1-yl-N-[(3-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) 2.00 11.38 -119.94 3 6 2 82 288.351 5 ↓
Hi High (pH 8-9.5) 2.00 9.33 -10.45 1 6 0 76 286.335 5 ↓
Mid Mid (pH 6-8) 2.00 10.23 -55.75 2 6 1 80 287.343 5 ↓

Analogs

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Popular Name: (1S,2S)-2-imidazol-1-yl-N-[(3-nitrophenyl)methyl]cyclopentanamine (1S,2S)-2-imidazol-1-yl-N-[(3-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) 2.00 10.63 -119.65 3 6 2 82 288.351 5 ↓
Hi High (pH 8-9.5) 2.00 8.71 -12.94 1 6 0 76 286.335 5 ↓
Mid Mid (pH 6-8) 2.00 9.9 -64.11 2 6 1 80 287.343 5 ↓

Analogs

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Popular Name: (1R,2R)-2-imidazol-1-yl-N-[(3-nitrophenyl)methyl]cyclopentanamine (1R,2R)-2-imidazol-1-yl-N-[(3-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) 2.00 10.63 -121.89 3 6 2 82 288.351 5 ↓
Hi High (pH 8-9.5) 2.00 8.68 -11 1 6 0 76 286.335 5 ↓
Mid Mid (pH 6-8) 2.00 9.9 -62.38 2 6 1 80 287.343 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-imidazol-1-yl-N-[(3-nitrophenyl)methyl]cyclopentanamine (1S,2R)-2-imidazol-1-yl-N-[(3-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) 2.00 11.05 -119.68 3 6 2 82 288.351 5 ↓
Hi High (pH 8-9.5) 2.00 8.91 -11.87 1 6 0 76 286.335 5 ↓
Mid Mid (pH 6-8) 2.00 9.94 -55.79 2 6 1 80 287.343 5 ↓

Analogs

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Popular Name: (1R,2S)-2-imidazol-1-yl-N-[(4-nitrophenyl)methyl]cyclopentanamine (1R,2S)-2-imidazol-1-yl-N-[(4-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) 2.02 11.38 -123.32 3 6 2 82 288.351 5 ↓
Hi High (pH 8-9.5) 2.02 9.33 -10.35 1 6 0 76 286.335 5 ↓
Mid Mid (pH 6-8) 2.02 10.23 -58.93 2 6 1 80 287.343 5 ↓

Analogs

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Popular Name: (1S,2S)-2-imidazol-1-yl-N-[(4-nitrophenyl)methyl]cyclopentanamine (1S,2S)-2-imidazol-1-yl-N-[(4-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) 2.02 10.63 -124.84 3 6 2 82 288.351 5 ↓
Hi High (pH 8-9.5) 2.02 8.71 -11.18 1 6 0 76 286.335 5 ↓
Mid Mid (pH 6-8) 2.02 9.9 -66.4 2 6 1 80 287.343 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-imidazol-1-yl-N-[(4-nitrophenyl)methyl]cyclopentanamine (1R,2R)-2-imidazol-1-yl-N-[(4-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) 2.02 10.63 -124.87 3 6 2 82 288.351 5 ↓
Hi High (pH 8-9.5) 2.02 8.68 -10.6 1 6 0 76 286.335 5 ↓
Mid Mid (pH 6-8) 2.02 9.9 -66.38 2 6 1 80 287.343 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-imidazol-1-yl-N-[(4-nitrophenyl)methyl]cyclopentanamine (1S,2R)-2-imidazol-1-yl-N-[(4-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) 2.02 11.05 -123.89 3 6 2 82 288.351 5 ↓
Hi High (pH 8-9.5) 2.02 8.91 -11.49 1 6 0 76 286.335 5 ↓
Mid Mid (pH 6-8) 2.02 9.94 -59.93 2 6 1 80 287.343 5 ↓

Analogs

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Popular Name: (1R,2S)-2-imidazol-1-yl-N-[(2-nitrophenyl)methyl]cyclopentanamine (1R,2S)-2-imidazol-1-yl-N-[(2-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) 1.97 11.28 -100.75 3 6 2 82 288.351 5 ↓
Hi High (pH 8-9.5) 1.97 9.24 -10.82 1 6 0 76 286.335 5 ↓
Mid Mid (pH 6-8) 1.97 10.13 -43.9 2 6 1 80 287.343 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-imidazol-1-yl-N-[(2-nitrophenyl)methyl]cyclopentanamine (1S,2S)-2-imidazol-1-yl-N-[(2-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) 1.97 10.35 -106.3 3 6 2 82 288.351 5 ↓
Hi High (pH 8-9.5) 1.97 8.51 -9.05 1 6 0 76 286.335 5 ↓
Mid Mid (pH 6-8) 1.97 9.61 -47.52 2 6 1 80 287.343 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-imidazol-1-yl-N-[(2-nitrophenyl)methyl]cyclopentanamine (1R,2R)-2-imidazol-1-yl-N-[(2-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) 1.97 10.54 -100.71 3 6 2 82 288.351 5 ↓
Hi High (pH 8-9.5) 1.97 8.58 -11.13 1 6 0 76 286.335 5 ↓
Mid Mid (pH 6-8) 1.97 9.8 -51.05 2 6 1 80 287.343 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-imidazol-1-yl-N-[(2-nitrophenyl)methyl]cyclopentanamine (1S,2R)-2-imidazol-1-yl-N-[(2-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) 1.97 10.8 -104.07 3 6 2 82 288.351 5 ↓
Hi High (pH 8-9.5) 1.97 8.77 -11.51 1 6 0 76 286.335 5 ↓
Mid Mid (pH 6-8) 1.97 9.69 -47.4 2 6 1 80 287.343 5 ↓

Analogs

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Popular Name: (1R,2S)-2-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]cyclopentanamine (1R,2S)-2-imidazol-1-yl-N-[(4-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) 2.49 11.68 -106.99 3 3 2 36 289.448 5 ↓
Mid Mid (pH 6-8) 2.49 10.54 -45.55 2 3 1 34 288.44 5 ↓

Analogs

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Popular Name: (1S,2S)-2-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]cyclopentanamine (1S,2S)-2-imidazol-1-yl-N-[(4-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) 2.49 10.94 -108.12 3 3 2 36 289.448 5 ↓
Mid Mid (pH 6-8) 2.49 10.2 -52.48 2 3 1 34 288.44 5 ↓

Analogs

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Popular Name: (1R,2R)-2-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]cyclopentanamine (1R,2R)-2-imidazol-1-yl-N-[(4-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) 2.49 10.94 -108.56 3 3 2 36 289.448 5 ↓
Mid Mid (pH 6-8) 2.49 10.2 -52.23 2 3 1 34 288.44 5 ↓

Analogs

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Popular Name: (1S,2R)-2-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]cyclopentanamine (1S,2R)-2-imidazol-1-yl-N-[(4-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) 2.49 11.35 -107.56 3 3 2 36 289.448 5 ↓
Mid Mid (pH 6-8) 2.49 10.25 -46.28 2 3 1 34 288.44 5 ↓

Analogs

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Popular Name: (1R,2S)-N-[(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]-2-imidazol-1-yl-cyclopentanamine (1R,2S)-N-[(1S)-1-(3-chloro-4-fl…

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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) 3.39 11.8 -112.6 3 3 2 36 309.816 4 ↓
Hi High (pH 8-9.5) 3.39 9.9 -5.55 1 3 0 30 307.8 4 ↓
Mid Mid (pH 6-8) 3.39 10.65 -44.21 2 3 1 34 308.808 4 ↓

Analogs

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Popular Name: (1R,2S)-N-[(1R)-1-(3-chloro-4-fluoro-phenyl)ethyl]-2-imidazol-1-yl-cyclopentanamine (1R,2S)-N-[(1R)-1-(3-chloro-4-fl…

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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) 3.39 11.81 -113.24 3 3 2 36 309.816 4 ↓
Hi High (pH 8-9.5) 3.39 10.03 -5.97 1 3 0 30 307.8 4 ↓
Mid Mid (pH 6-8) 3.39 10.66 -46.04 2 3 1 34 308.808 4 ↓

Analogs

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Popular Name: (1S,2S)-N-[(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]-2-imidazol-1-yl-cyclopentanamine (1S,2S)-N-[(1S)-1-(3-chloro-4-fl…

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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) 3.39 11.07 -114.97 3 3 2 36 309.816 4 ↓
Hi High (pH 8-9.5) 3.39 9.43 -7.36 1 3 0 30 307.8 4 ↓
Mid Mid (pH 6-8) 3.39 10.33 -55.77 2 3 1 34 308.808 4 ↓

Analogs

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Popular Name: (1S,2S)-N-[(1R)-1-(3-chloro-4-fluoro-phenyl)ethyl]-2-imidazol-1-yl-cyclopentanamine (1S,2S)-N-[(1R)-1-(3-chloro-4-fl…

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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) 3.39 11.05 -112.32 3 3 2 36 309.816 4 ↓
Hi High (pH 8-9.5) 3.39 9.29 -8.79 1 3 0 30 307.8 4 ↓
Mid Mid (pH 6-8) 3.39 10.31 -57.57 2 3 1 34 308.808 4 ↓

Analogs

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Popular Name: (1R,2S)-N-[(2,5-difluorophenyl)methyl]-2-imidazol-1-yl-cyclopentanamine (1R,2S)-N-[(2,5-difluorophenyl)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) 2.32 10.76 -101.94 3 3 2 36 279.334 4 ↓
Hi High (pH 8-9.5) 2.32 8.71 -6.24 1 3 0 30 277.318 4 ↓
Mid Mid (pH 6-8) 2.32 9.61 -42.28 2 3 1 34 278.326 4 ↓

Analogs

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Popular Name: (1S,2S)-N-[(2,5-difluorophenyl)methyl]-2-imidazol-1-yl-cyclopentanamine (1S,2S)-N-[(2,5-difluorophenyl)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) 2.32 10.02 -104.16 3 3 2 36 279.334 4 ↓
Hi High (pH 8-9.5) 2.32 8.09 -6.26 1 3 0 30 277.318 4 ↓
Mid Mid (pH 6-8) 2.32 9.28 -48.27 2 3 1 34 278.326 4 ↓

Analogs

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Popular Name: (1R,2R)-N-[(2,5-difluorophenyl)methyl]-2-imidazol-1-yl-cyclopentanamine (1R,2R)-N-[(2,5-difluorophenyl)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) 2.32 10.02 -102.78 3 3 2 36 279.334 4 ↓
Hi High (pH 8-9.5) 2.32 8.06 -6.45 1 3 0 30 277.318 4 ↓
Mid Mid (pH 6-8) 2.32 9.28 -49.24 2 3 1 34 278.326 4 ↓

Analogs

43389558
43389558
43389560
43389560
43389562
43389562
43389564
43389564

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Popular Name: (1S,2R)-N-[(2,5-difluorophenyl)methyl]-2-imidazol-1-yl-cyclopentanamine (1S,2R)-N-[(2,5-difluorophenyl)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) 2.32 10.42 -103.53 3 3 2 36 279.334 4 ↓
Hi High (pH 8-9.5) 2.32 8.29 -6.94 1 3 0 30 277.318 4 ↓
Mid Mid (pH 6-8) 2.32 9.31 -43.92 2 3 1 34 278.326 4 ↓

Analogs

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Popular Name: (1R,2S)-2-imidazol-1-yl-N-[(1S)-1-phenylbutyl]cyclopentanamine (1R,2S)-2-imidazol-1-yl-N-[(1S)-…

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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) 2.78 11.67 -35.73 2 3 1 34 284.427 6 ↓
Hi High (pH 8-9.5) 2.78 11.18 -4.53 1 3 0 30 283.419 6 ↓
Mid Mid (pH 6-8) 2.78 12.82 -101.48 3 3 2 36 285.435 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-imidazol-1-yl-N-[(1R)-1-phenylbutyl]cyclopentanamine (1R,2S)-2-imidazol-1-yl-N-[(1R)-…

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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) 2.78 11.49 -38.86 2 3 1 34 284.427 6 ↓
Hi High (pH 8-9.5) 2.78 10.99 -4.35 1 3 0 30 283.419 6 ↓
Mid Mid (pH 6-8) 2.78 12.65 -103.87 3 3 2 36 285.435 6 ↓

Analogs

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Popular Name: (1S,2S)-2-imidazol-1-yl-N-[(1S)-1-phenylbutyl]cyclopentanamine (1S,2S)-2-imidazol-1-yl-N-[(1S)-…

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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) 2.78 11.18 -47.13 2 3 1 34 284.427 6 ↓
Hi High (pH 8-9.5) 2.78 10.39 -5.56 1 3 0 30 283.419 6 ↓
Mid Mid (pH 6-8) 2.78 11.92 -105.25 3 3 2 36 285.435 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-imidazol-1-yl-N-[(1R)-1-phenylbutyl]cyclopentanamine (1S,2S)-2-imidazol-1-yl-N-[(1R)-…

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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) 2.78 11.33 -47.67 2 3 1 34 284.427 6 ↓
Hi High (pH 8-9.5) 2.78 10.51 -6.58 1 3 0 30 283.419 6 ↓
Mid Mid (pH 6-8) 2.78 12.07 -101.44 3 3 2 36 285.435 6 ↓

Analogs

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Popular Name: (1R,2S)-N-[(2,3-dichlorophenyl)methyl]-2-imidazol-1-yl-cyclopentanamine (1R,2S)-N-[(2,3-dichlorophenyl)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) 3.32 11.6 -102.16 3 3 2 36 312.244 4 ↓
Hi High (pH 8-9.5) 3.32 9.54 -6.87 1 3 0 30 310.228 4 ↓
Mid Mid (pH 6-8) 3.32 10.46 -42.35 2 3 1 34 311.236 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(2,3-dichlorophenyl)methyl]-2-imidazol-1-yl-cyclopentanamine (1S,2S)-N-[(2,3-dichlorophenyl)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) 3.32 10.86 -100.1 3 3 2 36 312.244 4 ↓
Hi High (pH 8-9.5) 3.32 8.92 -8.4 1 3 0 30 310.228 4 ↓
Mid Mid (pH 6-8) 3.32 10.12 -48.91 2 3 1 34 311.236 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-[(2,3-dichlorophenyl)methyl]-2-imidazol-1-yl-cyclopentanamine (1R,2R)-N-[(2,3-dichlorophenyl)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) 3.32 10.86 -103.56 3 3 2 36 312.244 4 ↓
Hi High (pH 8-9.5) 3.32 8.88 -6.93 1 3 0 30 310.228 4 ↓
Mid Mid (pH 6-8) 3.32 10.12 -46.49 2 3 1 34 311.236 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-[(2,3-dichlorophenyl)methyl]-2-imidazol-1-yl-cyclopentanamine (1S,2R)-N-[(2,3-dichlorophenyl)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) 3.32 11.27 -100.62 3 3 2 36 312.244 4 ↓
Hi High (pH 8-9.5) 3.32 9.11 -7.63 1 3 0 30 310.228 4 ↓
Mid Mid (pH 6-8) 3.32 10.16 -41.92 2 3 1 34 311.236 4 ↓

Analogs

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Popular Name: (1R,2S)-N-[(1S)-1-(4-bromophenyl)propyl]-2-imidazol-1-yl-cyclopentanamine (1R,2S)-N-[(1S)-1-(4-bromophenyl…

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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) 3.03 11.52 -39.19 2 3 1 34 349.296 5 ↓
Hi High (pH 8-9.5) 3.03 11.03 -4.56 1 3 0 30 348.288 5 ↓
Mid Mid (pH 6-8) 3.03 12.66 -105.63 3 3 2 36 350.304 5 ↓

Analogs

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Popular Name: (1R,2S)-N-[(1R)-1-(4-bromophenyl)propyl]-2-imidazol-1-yl-cyclopentanamine (1R,2S)-N-[(1R)-1-(4-bromophenyl…

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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) 3.03 11.34 -42.53 2 3 1 34 349.296 5 ↓
Hi High (pH 8-9.5) 3.03 10.88 -4.59 1 3 0 30 348.288 5 ↓
Mid Mid (pH 6-8) 3.03 12.5 -108.53 3 3 2 36 350.304 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(1S)-1-(4-bromophenyl)propyl]-2-imidazol-1-yl-cyclopentanamine (1S,2S)-N-[(1S)-1-(4-bromophenyl…

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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) 3.03 11.04 -51.37 2 3 1 34 349.296 5 ↓
Hi High (pH 8-9.5) 3.03 10.24 -6.03 1 3 0 30 348.288 5 ↓
Mid Mid (pH 6-8) 3.03 11.77 -110.13 3 3 2 36 350.304 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(1R)-1-(4-bromophenyl)propyl]-2-imidazol-1-yl-cyclopentanamine (1S,2S)-N-[(1R)-1-(4-bromophenyl…

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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) 3.03 11.18 -51.4 2 3 1 34 349.296 5 ↓
Hi High (pH 8-9.5) 3.03 10.36 -6.94 1 3 0 30 348.288 5 ↓
Mid Mid (pH 6-8) 3.03 11.91 -105.18 3 3 2 36 350.304 5 ↓

Analogs

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Popular Name: (1R,2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-imidazol-1-yl-cyclopentanamine (1R,2S)-N-[(1R)-1-(2,5-dimethylp…

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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) 3.44 12.51 -103.83 3 3 2 36 285.435 4 ↓
Mid Mid (pH 6-8) 3.44 11.37 -37.96 2 3 1 34 284.427 4 ↓

Analogs

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Popular Name: (1R,2S)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-imidazol-1-yl-cyclopentanamine (1R,2S)-N-[(1S)-1-(2,5-dimethylp…

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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) 3.44 12.22 -103.12 3 3 2 36 285.435 4 ↓
Mid Mid (pH 6-8) 3.44 11.08 -36.38 2 3 1 34 284.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-imidazol-1-yl-cyclopentanamine (1S,2S)-N-[(1R)-1-(2,5-dimethylp…

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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) 3.44 11.62 -102.96 3 3 2 36 285.435 4 ↓
Mid Mid (pH 6-8) 3.44 10.88 -47.82 2 3 1 34 284.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-imidazol-1-yl-cyclopentanamine (1S,2S)-N-[(1S)-1-(2,5-dimethylp…

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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) 3.44 11.72 -104.94 3 3 2 36 285.435 4 ↓
Mid Mid (pH 6-8) 3.44 10.98 -46.91 2 3 1 34 284.427 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(2,4-dimethylphenyl)methyl]-2-imidazol-1-yl-cyclopentanamine (1R,2S)-N-[(2,4-dimethylphenyl)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) 2.89 11.95 -102.25 3 3 2 36 271.408 4 ↓
Mid Mid (pH 6-8) 2.89 10.8 -41.28 2 3 1 34 270.4 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(2,4-dimethylphenyl)methyl]-2-imidazol-1-yl-cyclopentanamine (1S,2S)-N-[(2,4-dimethylphenyl)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) 2.89 11.17 -103.27 3 3 2 36 271.408 4 ↓
Mid Mid (pH 6-8) 2.89 10.43 -47.55 2 3 1 34 270.4 4 ↓

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