UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

7760347
7760347

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Popular Name: cyclopentyl-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]-dimethyl-ammonium cyclopentyl-[2-(2,5-dimethylphen…

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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 11.7 -34.45 0 2 1 17 260.401 4 ↓

Analogs

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Popular Name: cyclopentyl-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]-dimethyl-ammonium cyclopentyl-[2-(2,4-dimethylphen…

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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 11.71 -34.6 0 2 1 17 260.401 4 ↓

Analogs

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Popular Name: cyclopentyl-[2-(4-ethoxyphenyl)-2-oxo-ethyl]-dimethyl-ammonium cyclopentyl-[2-(4-ethoxyphenyl)-…

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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) -0.66 10.56 -36.34 0 3 1 26 276.4 6 ↓

Analogs

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Popular Name: 2-(cyclopentylamino)-1-(4-fluorophenyl)ethanone 2-(cyclopentylamino)-1-(4-fluoro…

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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) 2.81 7.21 -45.46 2 2 1 34 222.283 4 ↓
Mid Mid (pH 6-8) 2.81 6 -6.07 1 2 0 29 221.275 4 ↓

Analogs

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Popular Name: (2S)-2-[cyclopentyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one (2S)-2-[cyclopentyl(methyl)amino…

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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) 3.38 9.19 -36.48 1 2 1 22 250.337 4 ↓
Hi High (pH 8-9.5) 3.38 7.13 -5.72 0 2 0 20 249.329 4 ↓

Analogs

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Popular Name: (2R)-2-[cyclopentyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one (2R)-2-[cyclopentyl(methyl)amino…

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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) 3.38 9.22 -37.45 1 2 1 22 250.337 4 ↓
Hi High (pH 8-9.5) 3.38 7.1 -5.58 0 2 0 20 249.329 4 ↓

Analogs

36176644
36176644
36176647
36176647

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Popular Name: 1-(3-bromo-4-methoxy-phenyl)-2-[cyclopentyl(methyl)amino]ethanone 1-(3-bromo-4-methoxy-phenyl)-2-[…

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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) 3.68 9 -43.88 1 3 1 31 327.242 5 ↓
Hi High (pH 8-9.5) 3.68 6.81 -9.23 0 3 0 30 326.234 5 ↓

Analogs

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Popular Name: (2S)-1-(4-bromophenyl)-2-[cyclopentyl(methyl)amino]propan-1-one (2S)-1-(4-bromophenyl)-2-[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) 4.03 9.74 -35.97 1 2 1 22 311.243 4 ↓
Hi High (pH 8-9.5) 4.03 7.69 -5.21 0 2 0 20 310.235 4 ↓

Analogs

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Popular Name: (2R)-1-(4-bromophenyl)-2-[cyclopentyl(methyl)amino]propan-1-one (2R)-1-(4-bromophenyl)-2-[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) 4.03 9.79 -36.89 1 2 1 22 311.243 4 ↓
Hi High (pH 8-9.5) 4.03 7.66 -5.09 0 2 0 20 310.235 4 ↓

Analogs

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Popular Name: 2-[cyclopentyl(methyl)amino]-1-(4-ethylphenyl)ethanone 2-[cyclopentyl(methyl)amino]-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) 3.80 10.46 -37.07 1 2 1 22 246.374 5 ↓
Hi High (pH 8-9.5) 3.80 8.26 -6.07 0 2 0 20 245.366 5 ↓

Analogs

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Popular Name: (2S)-1-(3-chlorophenyl)-2-[cyclopentyl(methyl)amino]propan-1-one (2S)-1-(3-chlorophenyl)-2-[cyclo…

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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) 3.87 9.62 -37.1 1 2 1 22 266.792 4 ↓
Hi High (pH 8-9.5) 3.87 7.48 -7.04 0 2 0 20 265.784 4 ↓

Analogs

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Popular Name: (2R)-1-(3-chlorophenyl)-2-[cyclopentyl(methyl)amino]propan-1-one (2R)-1-(3-chlorophenyl)-2-[cyclo…

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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) 3.87 9.64 -37.02 1 2 1 22 266.792 4 ↓
Hi High (pH 8-9.5) 3.87 7.49 -7.2 0 2 0 20 265.784 4 ↓

Analogs

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Popular Name: 2-[cyclopentyl(methyl)amino]-1-(3,4-difluorophenyl)ethanone 2-[cyclopentyl(methyl)amino]-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) 3.15 9.14 -46.73 1 2 1 22 254.3 4 ↓
Hi High (pH 8-9.5) 3.15 6.95 -8.73 0 2 0 20 253.292 4 ↓

Analogs

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Popular Name: 2-[cyclopentyl(methyl)amino]-1-(2,4-dimethylphenyl)ethanone 2-[cyclopentyl(methyl)amino]-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) 3.72 10.36 -36.77 1 2 1 22 246.374 4 ↓
Hi High (pH 8-9.5) 3.72 8.16 -5.38 0 2 0 20 245.366 4 ↓

Analogs

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Popular Name: (2S)-2-[cyclopentyl(methyl)amino]-1-phenyl-propan-1-one (2S)-2-[cyclopentyl(methyl)amino…

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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 9.12 -33.19 1 2 1 22 232.347 4 ↓
Hi High (pH 8-9.5) 3.22 7.06 -6.27 0 2 0 20 231.339 4 ↓

Analogs

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Popular Name: (2R)-2-[cyclopentyl(methyl)amino]-1-phenyl-propan-1-one (2R)-2-[cyclopentyl(methyl)amino…

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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 9.11 -33.2 1 2 1 22 232.347 4 ↓
Hi High (pH 8-9.5) 3.22 7.09 -6.32 0 2 0 20 231.339 4 ↓

Analogs

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Popular Name: 2-[cyclopentyl(methyl)amino]-1-(4-nitrophenyl)ethanone 2-[cyclopentyl(methyl)amino]-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) 2.85 9.72 -49.64 1 5 1 67 263.317 5 ↓
Mid Mid (pH 6-8) 2.85 7.52 -8.83 0 5 0 66 262.309 5 ↓

Analogs

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Popular Name: 2-[cyclopentyl(methyl)amino]-1-(4-isopropylphenyl)ethanone 2-[cyclopentyl(methyl)amino]-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) 4.40 10.93 -36.91 1 2 1 22 260.401 5 ↓
Hi High (pH 8-9.5) 4.40 8.73 -5.88 0 2 0 20 259.393 5 ↓

Analogs

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Popular Name: 2-[cyclopentyl(methyl)amino]-1-(2,6-difluorophenyl)ethanone 2-[cyclopentyl(methyl)amino]-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) 3.12 9.05 -32.51 1 2 1 22 254.3 4 ↓
Hi High (pH 8-9.5) 3.12 6.86 -8.49 0 2 0 20 253.292 4 ↓

Analogs

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Popular Name: 2-[cyclopentyl(methyl)amino]-1-(p-tolyl)ethanone 2-[cyclopentyl(methyl)amino]-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) 3.34 9.68 -37.16 1 2 1 22 232.347 4 ↓
Hi High (pH 8-9.5) 3.34 7.48 -6.34 0 2 0 20 231.339 4 ↓

Analogs

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Popular Name: 2-[cyclopentyl(methyl)amino]-1-(2,4-dihydroxyphenyl)ethanone 2-[cyclopentyl(methyl)amino]-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) 2.33 4.64 -41.93 3 4 1 62 250.318 4 ↓
Hi High (pH 8-9.5) 2.33 3.46 -52.91 1 4 -1 64 248.302 4 ↓
Mid Mid (pH 6-8) 2.33 5.65 -55.89 2 4 0 65 249.31 4 ↓

Analogs

15457842
15457842

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Popular Name: 2-[cyclopentyl(methyl)amino]-1-(3,4-dichlorophenyl)ethanone 2-[cyclopentyl(methyl)amino]-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) 4.17 9.99 -44.15 1 2 1 22 287.21 4 ↓
Hi High (pH 8-9.5) 4.17 7.79 -7.09 0 2 0 20 286.202 4 ↓

Analogs

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Popular Name: 2-[cyclopentyl(methyl)amino]-1-(3,4-dihydroxyphenyl)ethanone 2-[cyclopentyl(methyl)amino]-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) 1.92 4.12 -44.26 3 4 1 62 250.318 4 ↓
Hi High (pH 8-9.5) 1.92 2.85 -43.71 1 4 -1 64 248.302 4 ↓
Mid Mid (pH 6-8) 1.92 1.92 -10.58 2 4 0 61 249.31 4 ↓

Analogs

7760153
7760153

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Popular Name: 1-(4-bromophenyl)-2-[cyclopentyl(methyl)amino]ethanone 1-(4-bromophenyl)-2-[cyclopentyl…

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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) 3.70 9.64 -40.23 1 2 1 22 297.216 4 ↓
Hi High (pH 8-9.5) 3.70 7.44 -5.62 0 2 0 20 296.208 4 ↓

Analogs

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Popular Name: 2-[cyclopentyl(methyl)amino]-1-(3-nitrophenyl)ethanone 2-[cyclopentyl(methyl)amino]-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) 2.83 9.72 -52.56 1 5 1 67 263.317 5 ↓
Mid Mid (pH 6-8) 2.83 7.52 -13.67 0 5 0 66 262.309 5 ↓

Analogs

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Popular Name: (2S)-2-[cyclopentyl(methyl)amino]-1-phenyl-butan-1-one (2S)-2-[cyclopentyl(methyl)amino…

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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) 3.76 9.95 -31.97 1 2 1 22 246.374 5 ↓
Hi High (pH 8-9.5) 3.76 8.08 -5.5 0 2 0 20 245.366 5 ↓

Analogs

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Popular Name: (2R)-2-[cyclopentyl(methyl)amino]-1-phenyl-butan-1-one (2R)-2-[cyclopentyl(methyl)amino…

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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) 3.76 9.4 -32.95 1 2 1 22 246.374 5 ↓
Hi High (pH 8-9.5) 3.76 7.51 -6.52 0 2 0 20 245.366 5 ↓

Analogs

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Popular Name: 2-[cyclopentyl(methyl)amino]-1-(2-ethoxyphenyl)ethanone 2-[cyclopentyl(methyl)amino]-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) 3.27 10.39 -37.65 1 3 1 31 262.373 6 ↓
Hi High (pH 8-9.5) 3.27 8.2 -9.24 0 3 0 30 261.365 6 ↓

Analogs

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Popular Name: (2S)-2-[cyclopentyl(methyl)amino]-1-(2,4-dichlorophenyl)propan-1-one (2S)-2-[cyclopentyl(methyl)amino…

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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) 4.50 10.14 -37.65 1 2 1 22 301.237 4 ↓
Hi High (pH 8-9.5) 4.50 8.08 -6.46 0 2 0 20 300.229 4 ↓

Analogs

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Popular Name: (2R)-2-[cyclopentyl(methyl)amino]-1-(2,4-dichlorophenyl)propan-1-one (2R)-2-[cyclopentyl(methyl)amino…

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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) 4.50 10.15 -37.72 1 2 1 22 301.237 4 ↓
Hi High (pH 8-9.5) 4.50 7.99 -6.45 0 2 0 20 300.229 4 ↓

Analogs

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Popular Name: 2-[cyclopentyl(methyl)amino]-1-(2-methoxy-4-methyl-phenyl)ethanone 2-[cyclopentyl(methyl)amino]-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) 3.32 10.14 -37.85 1 3 1 31 262.373 5 ↓
Hi High (pH 8-9.5) 3.32 7.95 -9.22 0 3 0 30 261.365 5 ↓

Analogs

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Popular Name: 2-[cyclopentyl(methyl)amino]-1-(5-fluoro-2-methoxy-phenyl)ethanone 2-[cyclopentyl(methyl)amino]-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) 3.04 9.54 -37.76 1 3 1 31 266.336 5 ↓
Hi High (pH 8-9.5) 3.04 7.35 -7.68 0 3 0 30 265.328 5 ↓

Analogs

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Popular Name: 2-[cyclopentyl(methyl)amino]-1-(o-tolyl)ethanone 2-[cyclopentyl(methyl)amino]-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) 3.29 9.69 -36.81 1 2 1 22 232.347 4 ↓
Hi High (pH 8-9.5) 3.29 7.49 -5.48 0 2 0 20 231.339 4 ↓

Analogs

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Popular Name: 2-[cyclopentyl(methyl)amino]-1-(m-tolyl)ethanone 2-[cyclopentyl(methyl)amino]-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) 3.31 9.68 -37.17 1 2 1 22 232.347 4 ↓
Hi High (pH 8-9.5) 3.31 7.48 -6.57 0 2 0 20 231.339 4 ↓

Analogs

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Popular Name: 2-[cyclopentyl(methyl)amino]-1-(5-fluoro-2-hydroxy-phenyl)ethanone 2-[cyclopentyl(methyl)amino]-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) 2.97 7.53 -38.94 2 3 1 42 252.309 4 ↓
Hi High (pH 8-9.5) 2.97 6.34 -45.26 0 3 -1 43 250.293 4 ↓
Hi High (pH 8-9.5) 2.97 5.34 -6.68 1 3 0 41 251.301 4 ↓

Analogs

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Popular Name: 2-[cyclopentyl(methyl)amino]-1-(3-methoxyphenyl)ethanone 2-[cyclopentyl(methyl)amino]-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) 2.92 8.32 -40.56 1 3 1 31 248.346 5 ↓
Hi High (pH 8-9.5) 2.92 6.11 -9.1 0 3 0 30 247.338 5 ↓

Analogs

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Popular Name: 2-[cyclopentyl(methyl)amino]-1-(4-iodophenyl)ethanone 2-[cyclopentyl(methyl)amino]-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) 3.97 10.12 -40.1 1 2 1 22 344.216 4 ↓
Hi High (pH 8-9.5) 3.97 7.92 -5.42 0 2 0 20 343.208 4 ↓

Analogs

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Popular Name: 1-(3-chloro-4-methoxy-phenyl)-2-[cyclopentyl(methyl)amino]ethanone 1-(3-chloro-4-methoxy-phenyl)-2-…

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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) 3.55 8.89 -43.88 1 3 1 31 282.791 5 ↓
Hi High (pH 8-9.5) 3.55 6.68 -9.25 0 3 0 30 281.783 5 ↓

Analogs

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Popular Name: 4-[2-[cyclopentyl(methyl)amino]acetyl]benzonitrile 4-[2-[cyclopentyl(methyl)amino]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) 2.65 9.4 -46.15 1 3 1 45 243.33 4 ↓
Hi High (pH 8-9.5) 2.65 7.19 -8.65 0 3 0 44 242.322 4 ↓

Analogs

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Popular Name: 2-[cyclopentyl(methyl)amino]-1-(4-hydroxyphenyl)ethanone 2-[cyclopentyl(methyl)amino]-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) 2.41 6.18 -40.19 2 3 1 42 234.319 4 ↓
Hi High (pH 8-9.5) 2.41 4.75 -41.91 0 3 -1 43 232.303 4 ↓
Mid Mid (pH 6-8) 2.41 3.97 -7.61 1 3 0 41 233.311 4 ↓

Analogs

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Popular Name: 2-[cyclopentyl(methyl)amino]-1-(3-fluorophenyl)ethanone 2-[cyclopentyl(methyl)amino]-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) 3.03 9.09 -42.26 1 2 1 22 236.31 4 ↓
Hi High (pH 8-9.5) 3.03 6.89 -8.28 0 2 0 20 235.302 4 ↓

Analogs

36161267
36161267
36161271
36161271

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Popular Name: 2-[cyclopentyl(methyl)amino]-1-(3-fluoro-4-methoxy-phenyl)ethanone 2-[cyclopentyl(methyl)amino]-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) 3.04 8.42 -45.94 1 3 1 31 266.336 5 ↓
Hi High (pH 8-9.5) 3.04 6.22 -10.55 0 3 0 30 265.328 5 ↓

Analogs

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Popular Name: 2-[cyclopentyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone 2-[cyclopentyl(methyl)amino]-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) 3.15 9.16 -44.44 1 2 1 22 254.3 4 ↓
Hi High (pH 8-9.5) 3.15 6.96 -9.29 0 2 0 20 253.292 4 ↓

Analogs

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Popular Name: (2S)-2-[cyclopentyl(methyl)amino]-1-(4-methoxyphenyl)propan-1-one (2S)-2-[cyclopentyl(methyl)amino…

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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 8.43 -34.62 1 3 1 31 262.373 5 ↓
Hi High (pH 8-9.5) 3.28 6.37 -6.61 0 3 0 30 261.365 5 ↓

Analogs

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Popular Name: (2R)-2-[cyclopentyl(methyl)amino]-1-(4-methoxyphenyl)propan-1-one (2R)-2-[cyclopentyl(methyl)amino…

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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 8.47 -35.57 1 3 1 31 262.373 5 ↓
Hi High (pH 8-9.5) 3.28 6.33 -6.36 0 3 0 30 261.365 5 ↓

Analogs

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Popular Name: 1-(2-bromophenyl)-2-[cyclopentyl(methyl)amino]ethanone 1-(2-bromophenyl)-2-[cyclopentyl…

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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) 3.65 9.64 -39.08 1 2 1 22 297.216 4 ↓
Hi High (pH 8-9.5) 3.65 7.44 -7.42 0 2 0 20 296.208 4 ↓

Analogs

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Popular Name: 1-(3-chlorophenyl)-2-[cyclopentyl(methyl)amino]ethanone 1-(3-chlorophenyl)-2-[cyclopenty…

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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) 3.54 9.53 -41.07 1 2 1 22 252.765 4 ↓
Hi High (pH 8-9.5) 3.54 7.33 -7.41 0 2 0 20 251.757 4 ↓

Analogs

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Popular Name: 1-(3-bromophenyl)-2-[cyclopentyl(methyl)amino]ethanone 1-(3-bromophenyl)-2-[cyclopentyl…

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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) 3.68 9.63 -41.18 1 2 1 22 297.216 4 ↓
Hi High (pH 8-9.5) 3.68 7.44 -7.38 0 2 0 20 296.208 4 ↓

Analogs

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Popular Name: 2-[cyclopentyl(methyl)amino]-1-(2-fluorophenyl)ethanone 2-[cyclopentyl(methyl)amino]-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) 3.01 9.09 -41.01 1 2 1 22 236.31 4 ↓
Hi High (pH 8-9.5) 3.01 6.89 -10.29 0 2 0 20 235.302 4 ↓

Analogs

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Popular Name: 2-[cyclopentyl(methyl)amino]-1-(2,4-dichlorophenyl)ethanone 2-[cyclopentyl(methyl)amino]-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) 4.17 10.03 -42.23 1 2 1 22 287.21 4 ↓
Hi High (pH 8-9.5) 4.17 7.83 -6.88 0 2 0 20 286.202 4 ↓

Parameters Provided:

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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 = 175245 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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