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Popular Name: N-[(2R)-2-[(2R)-2-ethylpyrrolidin-1-yl]-3-methyl-butyl]cyclopropanamine N-[(2R)-2-[(2R)-2-ethylpyrrolidi…

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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) 2.87 8.43 -98.74 3 2 2 21 226.408 6 ↓

Analogs

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Popular Name: N-[(2R)-2-[(2S)-2-ethylpyrrolidin-1-yl]-3-methyl-butyl]cyclopropanamine N-[(2R)-2-[(2S)-2-ethylpyrrolidi…

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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) 2.87 7.45 -100.95 3 2 2 21 226.408 6 ↓

Analogs

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Popular Name: N-[(2S)-2-[(2R)-2-ethylpyrrolidin-1-yl]propyl]cyclopropanamine N-[(2S)-2-[(2R)-2-ethylpyrrolidi…

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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) 2.09 7.09 -101.9 3 2 2 21 198.354 5 ↓

Analogs

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Popular Name: N-[(2S)-2-[(2S)-2-ethylpyrrolidin-1-yl]propyl]cyclopropanamine N-[(2S)-2-[(2S)-2-ethylpyrrolidi…

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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) 2.09 7.45 -105.24 3 2 2 21 198.354 5 ↓

Analogs

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Popular Name: N-[(2S)-2-[(2R)-2-ethylpyrrolidin-1-yl]butyl]cyclopropanamine N-[(2S)-2-[(2R)-2-ethylpyrrolidi…

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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) 2.63 8.4 -98.49 3 2 2 21 212.381 6 ↓
Hi High (pH 8-9.5) 2.63 7.37 -27.4 2 2 1 16 211.373 6 ↓
Mid Mid (pH 6-8) 2.63 6.72 -32.3 2 2 1 20 211.373 6 ↓

Analogs

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Popular Name: N-[(2S)-2-[(2S)-2-ethylpyrrolidin-1-yl]butyl]cyclopropanamine N-[(2S)-2-[(2S)-2-ethylpyrrolidi…

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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) 2.63 6.73 -107.12 3 2 2 21 212.381 6 ↓
Hi High (pH 8-9.5) 2.63 5.45 -29.77 2 2 1 16 211.373 6 ↓
Mid Mid (pH 6-8) 2.63 6.21 -32 2 2 1 20 211.373 6 ↓

Analogs

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Popular Name: N-[(2R)-3-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]butyl]cyclopropanamine N-[(2R)-3-methyl-2-[(2R)-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) 2.34 7.51 -105 3 2 2 21 212.381 5 ↓

Analogs

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Popular Name: N-[(2R)-3-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]butyl]cyclopropanamine N-[(2R)-3-methyl-2-[(2S)-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) 2.34 7.96 -99 3 2 2 21 212.381 5 ↓

Analogs

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Popular Name: N-[(2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propyl]cyclopropanamine N-[(2S)-2-[(2R)-2-methylpyrrolid…

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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) 1.56 6.28 -105.16 3 2 2 21 184.327 4 ↓

Analogs

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Popular Name: N-[(2S)-2-[(2S)-2-methylpyrrolidin-1-yl]propyl]cyclopropanamine N-[(2S)-2-[(2S)-2-methylpyrrolid…

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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) 1.56 6.54 -103.62 3 2 2 21 184.327 4 ↓

Analogs

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Popular Name: N-[(2S)-2-[(2S)-2-methylpyrrolidin-1-yl]butyl]cyclopropanamine N-[(2S)-2-[(2S)-2-methylpyrrolid…

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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) 2.09 7.08 -105.09 3 2 2 21 198.354 5 ↓

Analogs

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Popular Name: N-[(2R)-2-[(2S)-2-methylpyrrolidin-1-yl]butyl]cyclopropanamine N-[(2R)-2-[(2S)-2-methylpyrrolid…

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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) 2.09 6.96 -97.32 3 2 2 21 198.354 5 ↓

Analogs

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Popular Name: N-[(2S)-3-methyl-2-pyrrolidin-1-yl-butyl]cyclopropanamine N-[(2S)-3-methyl-2-pyrrolidin-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) 2.00 6.92 -107.06 3 2 2 21 198.354 5 ↓

Analogs

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Popular Name: N-[(2R)-3-methyl-2-pyrrolidin-1-yl-butyl]cyclopropanamine N-[(2R)-3-methyl-2-pyrrolidin-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) 2.00 7.6 -102.44 3 2 2 21 198.354 5 ↓

Analogs

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Popular Name: N-[(2S)-2-pyrrolidin-1-ylpropyl]cyclopropanamine N-[(2S)-2-pyrrolidin-1-ylpropyl]…

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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) 1.23 5.97 -102.14 3 2 2 21 170.3 4 ↓

Analogs

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Popular Name: N-[(2R)-2-pyrrolidin-1-ylpropyl]cyclopropanamine N-[(2R)-2-pyrrolidin-1-ylpropyl]…

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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) 1.23 5.98 -106.05 3 2 2 21 170.3 4 ↓

Analogs

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Popular Name: N-[(2S)-2-pyrrolidin-1-ylbutyl]cyclopropanamine N-[(2S)-2-pyrrolidin-1-ylbutyl]c…

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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) 1.76 6.83 -106.32 3 2 2 21 184.327 5 ↓

Analogs

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Popular Name: N-[(2R)-2-pyrrolidin-1-ylbutyl]cyclopropanamine N-[(2R)-2-pyrrolidin-1-ylbutyl]c…

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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) 1.76 7.16 -101.89 3 2 2 21 184.327 5 ↓

Analogs

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Popular Name: N-[(2R)-3-methyl-2-[(3R)-3-methylpyrrolidin-1-yl]butyl]cyclopropanamine N-[(2R)-3-methyl-2-[(3R)-3-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) 2.48 8.08 -107.17 3 2 2 21 212.381 5 ↓

Analogs

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Popular Name: N-[(2R)-3-methyl-2-[(3S)-3-methylpyrrolidin-1-yl]butyl]cyclopropanamine N-[(2R)-3-methyl-2-[(3S)-3-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) 2.48 8.04 -106.27 3 2 2 21 212.381 5 ↓

Analogs

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Popular Name: N-[(2S)-2-[(3R)-3-methylpyrrolidin-1-yl]propyl]cyclopropanamine N-[(2S)-2-[(3R)-3-methylpyrrolid…

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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) 1.70 6.51 -103.45 3 2 2 21 184.327 4 ↓

Analogs

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Popular Name: N-[(2S)-2-[(3S)-3-methylpyrrolidin-1-yl]propyl]cyclopropanamine N-[(2S)-2-[(3S)-3-methylpyrrolid…

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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) 1.70 6.59 -108.2 3 2 2 21 184.327 4 ↓

Analogs

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Popular Name: N-[(2S)-2-[(3S)-3-methylpyrrolidin-1-yl]butyl]cyclopropanamine N-[(2S)-2-[(3S)-3-methylpyrrolid…

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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) 2.24 7.38 -108.2 3 2 2 21 198.354 5 ↓
Hi High (pH 8-9.5) 2.24 6.1 -29.71 2 2 1 16 197.346 5 ↓
Hi High (pH 8-9.5) 2.24 5.07 -31.02 2 2 1 20 197.346 5 ↓

Analogs

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Popular Name: N-[(2R)-2-[(3S)-3-methylpyrrolidin-1-yl]butyl]cyclopropanamine N-[(2R)-2-[(3S)-3-methylpyrrolid…

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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) 2.24 7.19 -106.7 3 2 2 21 198.354 5 ↓
Hi High (pH 8-9.5) 2.24 7.24 -28.24 2 2 1 16 197.346 5 ↓
Hi High (pH 8-9.5) 2.24 5.07 -31.12 2 2 1 20 197.346 5 ↓

Analogs

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Popular Name: (3R)-1-[2-(cyclopropylamino)ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[2-(cyclopropylamino)ethy…

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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) 0.64 4.07 -82.51 3 3 2 24 199.342 5 ↓
Hi High (pH 8-9.5) 0.64 1.66 -35.17 2 3 1 23 198.334 5 ↓

Analogs

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Popular Name: (3S)-1-[2-(cyclopropylamino)ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[2-(cyclopropylamino)ethy…

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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) 0.64 4.13 -83.04 3 3 2 24 199.342 5 ↓
Hi High (pH 8-9.5) 0.64 1.73 -35.2 2 3 1 23 198.334 5 ↓

Analogs

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Popular Name: (3R)-1-[2-(cyclopropylamino)ethyl]-N,N-diethyl-pyrrolidin-3-amine (3R)-1-[2-(cyclopropylamino)ethy…

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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) 1.39 5.12 -81.59 3 3 2 24 227.396 7 ↓
Hi High (pH 8-9.5) 1.39 2.99 -34.72 2 3 1 23 226.388 7 ↓

Analogs

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Popular Name: (3S)-1-[2-(cyclopropylamino)ethyl]-N,N-diethyl-pyrrolidin-3-amine (3S)-1-[2-(cyclopropylamino)ethy…

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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) 1.39 5.15 -82.66 3 3 2 24 227.396 7 ↓
Hi High (pH 8-9.5) 1.39 2.97 -34.42 2 3 1 23 226.388 7 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-propanenitrile (2R)-2-(cyclopropylamino)-3-[(3S…

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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) 0.86 3.36 -39.58 2 4 1 43 237.371 5 ↓
Hi High (pH 8-9.5) 0.86 0.97 -6.41 1 4 0 42 236.363 5 ↓
Lo Low (pH 4.5-6) 0.86 5.45 -93.82 3 4 2 48 238.379 5 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-propanenitrile (2S)-2-(cyclopropylamino)-3-[(3S…

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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) 0.86 3.6 -37.21 2 4 1 43 237.371 5 ↓
Hi High (pH 8-9.5) 0.86 1.21 -3.95 1 4 0 42 236.363 5 ↓
Lo Low (pH 4.5-6) 0.86 4.7 -93.57 3 4 2 48 238.379 5 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propanenitrile (2S)-2-(cyclopropylamino)-3-[(3R…

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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) 0.41 4.43 -37.38 2 4 1 43 223.344 5 ↓
Hi High (pH 8-9.5) 0.41 2.03 -3.81 1 4 0 42 222.336 5 ↓
Lo Low (pH 4.5-6) 0.41 4.4 -98.71 3 4 2 48 224.352 5 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propanenitrile (2S)-2-(cyclopropylamino)-3-[(3S…

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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) 0.41 4.44 -37.24 2 4 1 43 223.344 5 ↓
Hi High (pH 8-9.5) 0.41 2.04 -3.91 1 4 0 42 222.336 5 ↓
Lo Low (pH 4.5-6) 0.41 4.4 -96.94 3 4 2 48 224.352 5 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-3-[(3R)-3-(diethylamino)pyrrolidin-1-yl]-2-methyl-propanenitrile (2S)-2-(cyclopropylamino)-3-[(3R…

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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) 1.61 4.82 -35.59 2 4 1 43 265.425 7 ↓
Hi High (pH 8-9.5) 1.61 2.72 -3.46 1 4 0 42 264.417 7 ↓
Lo Low (pH 4.5-6) 1.61 5.92 -92.38 3 4 2 48 266.433 7 ↓

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-3-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-2-methyl-propanenitrile (2S)-2-(cyclopropylamino)-3-[(3S…

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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) 1.61 4.63 -35.74 2 4 1 43 265.425 7 ↓
Hi High (pH 8-9.5) 1.61 2.47 -3.59 1 4 0 42 264.417 7 ↓
Lo Low (pH 4.5-6) 1.61 5.67 -91.65 3 4 2 48 266.433 7 ↓

Analogs

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Popular Name: methyl 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) 0.94 4.22 -38.06 2 5 1 46 270.397 7 ↓
Hi High (pH 8-9.5) 0.94 2.33 -4 1 5 0 45 269.389 7 ↓
Mid Mid (pH 6-8) 0.94 7.21 -87.39 3 5 2 51 271.405 7 ↓

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Popular Name: methyl 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) 0.94 5.49 -36.47 2 5 1 46 270.397 7 ↓
Hi High (pH 8-9.5) 0.94 1.91 -3.75 1 5 0 45 269.389 7 ↓
Mid Mid (pH 6-8) 0.94 7.27 -90.83 3 5 2 51 271.405 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) 1.31 5.65 -35.61 2 5 1 46 284.424 8 ↓
Hi High (pH 8-9.5) 1.31 3.25 -3.88 1 5 0 45 283.416 8 ↓
Mid Mid (pH 6-8) 1.31 8.14 -87.23 3 5 2 51 285.432 8 ↓

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) 1.31 5.29 -40.14 2 5 1 46 284.424 8 ↓
Hi High (pH 8-9.5) 1.31 2.89 -3.61 1 5 0 45 283.416 8 ↓
Mid Mid (pH 6-8) 1.31 8.07 -89.35 3 5 2 51 285.432 8 ↓

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-propanamide (2R)-2-(cyclopropylamino)-3-[(3S…

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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 2.34 -94.27 5 5 2 67 256.394 6 ↓
Hi High (pH 8-9.5) -0.19 -0.06 -38.96 4 5 1 66 255.386 6 ↓
Hi High (pH 8-9.5) -0.19 -1.68 -5.37 3 5 0 62 254.378 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-propanamide (2S)-2-(cyclopropylamino)-3-[(3S…

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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 2.4 -92.92 5 5 2 67 256.394 6 ↓
Hi High (pH 8-9.5) -0.19 0.01 -39.54 4 5 1 66 255.386 6 ↓
Hi High (pH 8-9.5) -0.19 -0.78 -6.81 3 5 0 62 254.378 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(cyclopropylamino)-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-propanoic (2R)-2-(cyclopropylamino)-3-[(3S…

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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) -1.66 5.62 -66.13 3 5 1 64 256.37 6 ↓
Hi High (pH 8-9.5) -1.66 5.03 -36.02 2 5 0 60 255.362 6 ↓
Hi High (pH 8-9.5) -1.66 3.22 -37.5 2 5 0 63 255.362 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-propanoic (2S)-2-(cyclopropylamino)-3-[(3S…

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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) -1.66 5.26 -53.16 3 5 1 64 256.37 6 ↓
Hi High (pH 8-9.5) -1.66 4.32 -31.02 2 5 0 60 255.362 6 ↓
Hi High (pH 8-9.5) -1.66 2.86 -33.41 2 5 0 63 255.362 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propanoic (2S)-2-(cyclopropylamino)-3-[(3R…

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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) -1.58 5.06 -74.53 3 5 1 64 242.343 6 ↓
Hi High (pH 8-9.5) -1.58 3.98 -38.47 2 5 0 60 241.335 6 ↓
Hi High (pH 8-9.5) -1.58 2.89 -28.01 2 5 0 63 241.335 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(cyclopropylamino)-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propanoic (2S)-2-(cyclopropylamino)-3-[(3S…

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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) -1.58 4.74 -64.57 3 5 1 64 242.343 6 ↓
Hi High (pH 8-9.5) -1.58 4.93 -39.56 2 5 0 60 241.335 6 ↓
Hi High (pH 8-9.5) -1.58 2.74 -37.02 2 5 0 63 241.335 6 ↓

Analogs

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Popular Name: methyl 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) 0.49 4.91 -36 2 5 1 46 256.37 7 ↓
Hi High (pH 8-9.5) 0.49 1.11 -5.67 1 5 0 45 255.362 7 ↓
Mid Mid (pH 6-8) 0.49 5.15 -87.68 3 5 2 51 257.378 7 ↓

Analogs

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Popular Name: methyl 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) 0.49 4.91 -35.86 2 5 1 46 256.37 7 ↓
Hi High (pH 8-9.5) 0.49 1.12 -5.91 1 5 0 45 255.362 7 ↓
Mid Mid (pH 6-8) 0.49 5.08 -86.84 3 5 2 51 257.378 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) 0.87 4.3 -35.99 2 5 1 46 270.397 8 ↓
Hi High (pH 8-9.5) 0.87 1.91 -3.88 1 5 0 45 269.389 8 ↓
Mid Mid (pH 6-8) 0.87 6.31 -87.69 3 5 2 51 271.405 8 ↓

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) 0.87 4.55 -40.58 2 5 1 46 270.397 8 ↓
Hi High (pH 8-9.5) 0.87 2.16 -4.2 1 5 0 45 269.389 8 ↓
Mid Mid (pH 6-8) 0.87 6.01 -85.06 3 5 2 51 271.405 8 ↓

Analogs

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Popular Name: methyl 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) 1.69 5.49 -35.76 2 5 1 46 298.451 9 ↓
Hi High (pH 8-9.5) 1.69 3.37 -3.26 1 5 0 45 297.443 9 ↓
Mid Mid (pH 6-8) 1.69 6.59 -86.96 3 5 2 51 299.459 9 ↓

Analogs

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Popular Name: methyl 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) 1.69 5.47 -35.28 2 5 1 46 298.451 9 ↓
Hi High (pH 8-9.5) 1.69 3.31 -3.64 1 5 0 45 297.443 9 ↓
Mid Mid (pH 6-8) 1.69 6.59 -87.06 3 5 2 51 299.459 9 ↓

Parameters Provided:

ring.id = 224668
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 = 224668 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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