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Popular Name: (1S)-1-[3-chloro-4-[(2R)-2-cyclopentylpyrrolidin-1-yl]phenyl]ethanamine (1S)-1-[3-chloro-4-[(2R)-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) 2.68 8.92 -46.2 3 2 1 31 293.862 3 ↓
Hi High (pH 8-9.5) 2.68 8.59 -2.57 2 2 0 29 292.854 3 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-[(2R)-2-cyclopentylpyrrolidin-1-yl]phenyl]ethanamine (1R)-1-[3-chloro-4-[(2R)-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) 2.68 8.91 -46.38 3 2 1 31 293.862 3 ↓
Hi High (pH 8-9.5) 2.68 8.59 -2.05 2 2 0 29 292.854 3 ↓

Analogs

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Popular Name: (1S)-1-[3-chloro-4-[(2R)-2-cyclopentylpyrrolidin-1-yl]phenyl]-N-methyl-ethanamine (1S)-1-[3-chloro-4-[(2R)-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) 4.94 10.68 -40.54 2 2 1 20 307.889 4 ↓

Analogs

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Popular Name: (1R)-1-[3-chloro-4-[(2R)-2-cyclopentylpyrrolidin-1-yl]phenyl]-N-methyl-ethanamine (1R)-1-[3-chloro-4-[(2R)-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) 4.94 10.68 -40.8 2 2 1 20 307.889 4 ↓

Analogs

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Popular Name: (1S)-1-[3-bromo-4-[(2R)-2-cyclopentylpyrrolidin-1-yl]phenyl]ethanamine (1S)-1-[3-bromo-4-[(2R)-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) 2.82 9.09 -45.98 3 2 1 31 338.313 3 ↓
Hi High (pH 8-9.5) 2.82 8.76 -2.44 2 2 0 29 337.305 3 ↓

Analogs

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Popular Name: (1R)-1-[3-bromo-4-[(2R)-2-cyclopentylpyrrolidin-1-yl]phenyl]ethanamine (1R)-1-[3-bromo-4-[(2R)-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) 2.82 9.08 -46.32 3 2 1 31 338.313 3 ↓
Hi High (pH 8-9.5) 2.82 8.75 -1.94 2 2 0 29 337.305 3 ↓

Analogs

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Popular Name: 5-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-methyl-aniline 5-[(2R)-2-cyclopentylpyrrolidin-…

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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) 4.07 7.89 -3.54 2 2 0 29 244.382 2 ↓
Lo Low (pH 4.5-6) 4.07 8.3 -27.53 3 2 1 30 245.39 2 ↓

Analogs

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Popular Name: 5-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-methyl-aniline 5-[(2S)-2-cyclopentylpyrrolidin-…

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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) 4.07 7.97 -3.54 2 2 0 29 244.382 2 ↓
Lo Low (pH 4.5-6) 4.07 8.5 -27.12 3 2 1 30 245.39 2 ↓

Analogs

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Popular Name: 2-[(2R)-2-cyclopentylpyrrolidin-1-yl]-5-nitro-aniline 2-[(2R)-2-cyclopentylpyrrolidin-…

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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) 3.58 8.44 -5.01 2 5 0 75 275.352 3 ↓

Analogs

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Popular Name: 2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-5-nitro-aniline 2-[(2S)-2-cyclopentylpyrrolidin-…

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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) 3.58 8.72 -4.83 2 5 0 75 275.352 3 ↓

Analogs

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Popular Name: [5-chloro-2-[(2R)-2-cyclopentylpyrrolidin-1-yl]phenyl]methanamine [5-chloro-2-[(2R)-2-cyclopentylp…

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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) 4.00 8.22 -44.79 3 2 1 31 279.835 3 ↓

Analogs

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Popular Name: [5-chloro-2-[(2S)-2-cyclopentylpyrrolidin-1-yl]phenyl]methanamine [5-chloro-2-[(2S)-2-cyclopentylp…

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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) 4.00 8.45 -44.61 3 2 1 31 279.835 3 ↓

Analogs

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Popular Name: 5-chloro-2-[(2R)-2-cyclopentylpyrrolidin-1-yl]benzenecarbothioamide 5-chloro-2-[(2R)-2-cyclopentylpy…

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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) 4.62 9.05 -6.08 2 2 0 29 308.878 3 ↓

Analogs

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Popular Name: 5-chloro-2-[(2S)-2-cyclopentylpyrrolidin-1-yl]benzenecarbothioamide 5-chloro-2-[(2S)-2-cyclopentylpy…

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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) 4.62 9.36 -5.9 2 2 0 29 308.878 3 ↓

Analogs

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Popular Name: 5-chloro-2-[(2R)-2-cyclopentylpyrrolidin-1-yl]benzamidine 5-chloro-2-[(2R)-2-cyclopentylpy…

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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) 3.20 7.87 -31.36 4 3 1 55 292.834 3 ↓
Hi High (pH 8-9.5) 3.20 8.86 -2.43 3 3 0 53 291.826 3 ↓

Analogs

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Popular Name: 5-chloro-2-[(2R)-2-cyclopentylpyrrolidin-1-yl]-N'-hydroxy-benzamidine 5-chloro-2-[(2R)-2-cyclopentylpy…

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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) 3.13 6.9 -6.03 3 4 0 62 307.825 3 ↓
Lo Low (pH 4.5-6) 3.13 6.78 -32.35 4 4 1 63 308.833 3 ↓

Analogs

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Popular Name: 5-chloro-2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-N'-hydroxy-benzamidine 5-chloro-2-[(2S)-2-cyclopentylpy…

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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) 3.13 7.14 -5.89 3 4 0 62 307.825 3 ↓
Lo Low (pH 4.5-6) 3.13 7.1 -32.41 4 4 1 63 308.833 3 ↓

Analogs

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Popular Name: 2-chloro-6-[(2R)-2-cyclopentylpyrrolidin-1-yl]benzamidine 2-chloro-6-[(2R)-2-cyclopentylpy…

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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) 3.18 7.44 -27.71 4 3 1 55 292.834 3 ↓
Hi High (pH 8-9.5) 3.18 7.42 -4.33 3 3 0 53 291.826 3 ↓

Analogs

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Popular Name: 2-chloro-6-[(2R)-2-cyclopentylpyrrolidin-1-yl]-N'-hydroxy-benzamidine 2-chloro-6-[(2R)-2-cyclopentylpy…

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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) 3.11 6.28 -5.69 3 4 0 62 307.825 3 ↓
Lo Low (pH 4.5-6) 3.11 6.31 -29.63 4 4 1 63 308.833 3 ↓

Analogs

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Popular Name: 2-chloro-6-[(2S)-2-cyclopentylpyrrolidin-1-yl]-N'-hydroxy-benzamidine 2-chloro-6-[(2S)-2-cyclopentylpy…

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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) 3.11 6.55 -6 3 4 0 62 307.825 3 ↓
Lo Low (pH 4.5-6) 3.11 6.66 -29.39 4 4 1 63 308.833 3 ↓

Analogs

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Popular Name: 2-chloro-6-[(2R)-2-cyclopentylpyrrolidin-1-yl]benzenecarbothioamide 2-chloro-6-[(2R)-2-cyclopentylpy…

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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) 4.59 9.33 -9.55 2 2 0 29 308.878 3 ↓

Analogs

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Popular Name: 2-chloro-6-[(2S)-2-cyclopentylpyrrolidin-1-yl]benzenecarbothioamide 2-chloro-6-[(2S)-2-cyclopentylpy…

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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) 4.59 9.62 -9.29 2 2 0 29 308.878 3 ↓

Analogs

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Popular Name: 2-chloro-6-[(2R)-2-cyclopentylpyrrolidin-1-yl]benzonitrile 2-chloro-6-[(2R)-2-cyclopentylpy…

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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) 4.55 10.45 -7.26 0 2 0 27 274.795 2 ↓

Analogs

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Popular Name: 2-chloro-6-[(2S)-2-cyclopentylpyrrolidin-1-yl]benzonitrile 2-chloro-6-[(2S)-2-cyclopentylpy…

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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) 4.55 10.73 -6.57 0 2 0 27 274.795 2 ↓

Analogs

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Popular Name: [4-chloro-2-[(2R)-2-cyclopentylpyrrolidin-1-yl]phenyl]methanamine [4-chloro-2-[(2R)-2-cyclopentylp…

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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) 4.00 8.22 -47.32 3 2 1 31 279.835 3 ↓

Analogs

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Popular Name: [4-chloro-2-[(2S)-2-cyclopentylpyrrolidin-1-yl]phenyl]methanamine [4-chloro-2-[(2S)-2-cyclopentylp…

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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) 4.00 8.47 -47.08 3 2 1 31 279.835 3 ↓

Analogs

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Popular Name: 4-chloro-2-[(2R)-2-cyclopentylpyrrolidin-1-yl]benzenecarbothioamide 4-chloro-2-[(2R)-2-cyclopentylpy…

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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) 4.62 9.01 -7.02 2 2 0 29 308.878 3 ↓

Analogs

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Popular Name: 4-chloro-2-[(2S)-2-cyclopentylpyrrolidin-1-yl]benzenecarbothioamide 4-chloro-2-[(2S)-2-cyclopentylpy…

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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) 4.62 9.41 -7.06 2 2 0 29 308.878 3 ↓

Analogs

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Popular Name: 4-chloro-2-[(2R)-2-cyclopentylpyrrolidin-1-yl]benzamidine 4-chloro-2-[(2R)-2-cyclopentylpy…

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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) 3.20 7.92 -33.49 4 3 1 55 292.834 3 ↓
Hi High (pH 8-9.5) 3.20 8.84 -3.09 3 3 0 53 291.826 3 ↓

Analogs

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Popular Name: 4-chloro-2-[(2R)-2-cyclopentylpyrrolidin-1-yl]-N'-hydroxy-benzamidine 4-chloro-2-[(2R)-2-cyclopentylpy…

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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) 3.13 6.85 -5.19 3 4 0 62 307.825 3 ↓
Lo Low (pH 4.5-6) 3.13 6.78 -34.31 4 4 1 63 308.833 3 ↓

Analogs

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Popular Name: 4-chloro-2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-N'-hydroxy-benzamidine 4-chloro-2-[(2S)-2-cyclopentylpy…

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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) 3.13 7.16 -5.39 3 4 0 62 307.825 3 ↓
Lo Low (pH 4.5-6) 3.13 7.09 -33.86 4 4 1 63 308.833 3 ↓

Analogs

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Popular Name: [3-chloro-4-[(2R)-2-cyclopentylpyrrolidin-1-yl]phenyl]methanamine [3-chloro-4-[(2R)-2-cyclopentylp…

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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) 4.00 8.18 -46.74 3 2 1 31 279.835 3 ↓
Hi High (pH 8-9.5) 4.00 7.78 -2.31 2 2 0 29 278.827 3 ↓

Analogs

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Popular Name: [3-chloro-4-[(2S)-2-cyclopentylpyrrolidin-1-yl]phenyl]methanamine [3-chloro-4-[(2S)-2-cyclopentylp…

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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) 4.00 8.48 -46.15 3 2 1 31 279.835 3 ↓
Hi High (pH 8-9.5) 4.00 8.08 -2.22 2 2 0 29 278.827 3 ↓

Analogs

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Popular Name: 3-chloro-4-[(2R)-2-cyclopentylpyrrolidin-1-yl]benzamidine 3-chloro-4-[(2R)-2-cyclopentylpy…

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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) 3.20 8.04 -33.76 4 3 1 55 292.834 3 ↓

Analogs

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Popular Name: 3-chloro-4-[(2R)-2-cyclopentylpyrrolidin-1-yl]-N'-hydroxy-benzamidine 3-chloro-4-[(2R)-2-cyclopentylpy…

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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) 3.13 6.83 -7.01 3 4 0 62 307.825 3 ↓
Lo Low (pH 4.5-6) 3.13 6.79 -35.01 4 4 1 63 308.833 3 ↓

Analogs

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Popular Name: 3-chloro-4-[(2S)-2-cyclopentylpyrrolidin-1-yl]-N'-hydroxy-benzamidine 3-chloro-4-[(2S)-2-cyclopentylpy…

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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) 3.13 7.13 -6.87 3 4 0 62 307.825 3 ↓
Lo Low (pH 4.5-6) 3.13 7.08 -34.66 4 4 1 63 308.833 3 ↓

Analogs

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Popular Name: 3-chloro-4-[(2R)-2-cyclopentylpyrrolidin-1-yl]benzenecarbothioamide 3-chloro-4-[(2R)-2-cyclopentylpy…

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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) 4.62 9.39 -9.21 2 2 0 29 308.878 3 ↓

Analogs

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Popular Name: 3-chloro-4-[(2S)-2-cyclopentylpyrrolidin-1-yl]benzenecarbothioamide 3-chloro-4-[(2S)-2-cyclopentylpy…

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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) 4.62 9.66 -9.06 2 2 0 29 308.878 3 ↓

Analogs

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Popular Name: 4-amino-2-[(2R)-2-cyclopentylpyrrolidin-1-yl]benzoic 4-amino-2-[(2R)-2-cyclopentylpyr…

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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 8.32 -57.25 2 4 -1 69 273.356 3 ↓
Lo Low (pH 4.5-6) 3.31 6.34 -6.77 3 4 0 67 274.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-[(2S)-2-cyclopentylpyrrolidin-1-yl]benzoic 4-amino-2-[(2S)-2-cyclopentylpyr…

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Activity (Go SEA)

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 8.62 -56.18 2 4 -1 69 273.356 3 ↓
Lo Low (pH 4.5-6) 3.31 6.63 -6.63 3 4 0 67 274.364 3 ↓

Parameters Provided:

ring.id = 1541
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 = 1541 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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