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Analogs

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Popular Name: 2-((2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetrahydrofuran-2-yl)-N-isopropylacetamide 2-((2S,3R,4S,5R)-5-(aminomethyl)…

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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) -0.39 -4.12 -46.19 6 6 1 106 233.288 4 ↓
Hi High (pH 8-9.5) -0.39 -4.55 -16.27 5 6 0 105 232.28 4 ↓

Analogs

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Popular Name: 2-((2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetrahydrofuran-2-yl)-1-morpholinoethanone 2-((2S,3R,4S,5R)-5-(aminomethyl)…

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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) -0.97 -4.21 -47.97 5 7 1 107 261.298 3 ↓
Hi High (pH 8-9.5) -0.97 -4.6 -16.74 4 7 0 105 260.29 3 ↓

Analogs

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Popular Name: 2-((3R,4S)-3-((5-(pyridin-2-yl)isoxazol-3-yl)methyl)piperidin-4-yl)acetic acid 2-((3R,4S)-3-((5-(pyridin-2-yl)i…

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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) 1.44 6.7 -57.2 2 6 0 96 301.346 5 ↓

Analogs

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Popular Name: (S)-methyl 2-(1-(dimethylamino)-2-hydroxyethyl)oxazole-4-carboxylate (S)-methyl 2-(1-(dimethylamino)-…

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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) -0.11 -0.7 -38.67 2 6 1 77 215.229 5 ↓
Hi High (pH 8-9.5) -0.11 -3.37 -9.27 1 6 0 76 214.221 5 ↓

Analogs

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Popular Name: (1R,2S,3R)-3-amino-4-(4-methoxyphenyl)cyclopentane-1,2-diol (1R,2S,3R)-3-amino-4-(4-methoxyp…

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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) 0.14 -1.2 -48.96 5 4 1 77 224.28 2 ↓
Hi High (pH 8-9.5) 0.14 -1.48 -6.05 4 4 0 76 223.272 2 ↓

Analogs

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Popular Name: (1R,2S,3R)-3-amino-4-(4-methoxyphenyl)cyclopentane-1,2-diol (1R,2S,3R)-3-amino-4-(4-methoxyp…

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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) 0.14 -1.29 -40.43 5 4 1 77 224.28 2 ↓
Hi High (pH 8-9.5) 0.14 -1.35 -6.3 4 4 0 76 223.272 2 ↓

Analogs

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Popular Name: (1R,2S,3R)-3-amino-4-(pyridin-3-yl)cyclopentane-1,2-diol (1R,2S,3R)-3-amino-4-(pyridin-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.62 -2.33 -50.34 5 4 1 81 195.242 1 ↓
Hi High (pH 8-9.5) -1.62 -2.62 -6.89 4 4 0 79 194.234 1 ↓
Lo Low (pH 4.5-6) -1.62 -1.86 -100.36 6 4 2 82 196.25 1 ↓

Analogs

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Popular Name: (1R,2S,3R)-3-amino-4-(pyridin-3-yl)cyclopentane-1,2-diol (1R,2S,3R)-3-amino-4-(pyridin-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.62 -2.36 -41.55 5 4 1 81 195.242 1 ↓
Hi High (pH 8-9.5) -1.62 -2.54 -6.43 4 4 0 79 194.234 1 ↓
Lo Low (pH 4.5-6) -1.62 -1.9 -103.25 6 4 2 82 196.25 1 ↓

Analogs

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Popular Name: N-(((2R,3S,4R)-4-amino-3-hydroxytetrahydrofuran-2-yl)methyl)benzenesulfonamide N-(((2R,3S,4R)-4-amino-3-hydroxy…

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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 -4.3 -55.05 5 6 1 103 273.334 4 ↓
Mid Mid (pH 6-8) -0.94 -4.6 -11.03 4 6 0 102 272.326 4 ↓

Analogs

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Popular Name: N-(((2R,3S,4R)-4-amino-3-hydroxytetrahydrofuran-2-yl)methyl)-4-fluorobenzamide N-(((2R,3S,4R)-4-amino-3-hydroxy…

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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) -0.65 -2.14 -51.81 5 5 1 86 255.269 3 ↓
Mid Mid (pH 6-8) -0.65 -2.45 -8.33 4 5 0 85 254.261 3 ↓

Analogs

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Popular Name: N-((3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl)thiophene-2-carboxamide N-((3R,4S,5R)-4-hydroxy-5-(hydro…

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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) -0.43 -3.69 -13.08 3 5 0 79 243.284 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(((2R,3S,4R)-4-amino-3-hydroxytetrahydrofuran-2-yl)methyl)thiophene-2-carboxamide N-(((2R,3S,4R)-4-amino-3-hydroxy…

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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) -0.92 -3.24 -51.19 5 5 1 86 243.308 3 ↓
Mid Mid (pH 6-8) -0.92 -3.55 -8.71 4 5 0 85 242.3 3 ↓

Analogs

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Popular Name: N-(((2R,3S,4R)-4-amino-3-hydroxytetrahydrofuran-2-yl)methyl)isonicotinamide N-(((2R,3S,4R)-4-amino-3-hydroxy…

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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) -2.11 -3.97 -52.95 5 6 1 99 238.267 3 ↓
Mid Mid (pH 6-8) -2.11 -4.27 -9.42 4 6 0 97 237.259 3 ↓

Analogs

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Popular Name: N-(((2R,3S,4R)-4-amino-3-hydroxytetrahydrofuran-2-yl)methyl)-3,3-dimethylbutanamide N-(((2R,3S,4R)-4-amino-3-hydroxy…

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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) -0.56 -2.64 -48.44 5 5 1 86 231.316 4 ↓
Mid Mid (pH 6-8) -0.56 -2.94 -6.77 4 5 0 85 230.308 4 ↓

Analogs

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Popular Name: N-(((2R,3S,4R)-4-amino-3-hydroxytetrahydrofuran-2-yl)methyl)cyclopropanecarboxamide N-(((2R,3S,4R)-4-amino-3-hydroxy…

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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 -3.74 -49.89 5 5 1 86 201.246 3 ↓
Mid Mid (pH 6-8) -1.66 -4.05 -8.14 4 5 0 85 200.238 3 ↓

Analogs

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Popular Name: N-(((2R,3S,4R)-4-amino-3-hydroxytetrahydrofuran-2-yl)methyl)-4-methylbenzenesulfonamide N-(((2R,3S,4R)-4-amino-3-hydroxy…

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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 -3.63 -54.96 5 6 1 103 287.361 4 ↓
Mid Mid (pH 6-8) -0.49 -3.92 -10.86 4 6 0 102 286.353 4 ↓

Analogs

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Popular Name: 1-(((2R,3S,4R)-4-amino-3-hydroxytetrahydrofuran-2-yl)methyl)-3-isopropylurea 1-(((2R,3S,4R)-4-amino-3-hydroxy…

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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) -1.53 -5.01 -50.57 6 6 1 98 218.277 3 ↓
Mid Mid (pH 6-8) -1.53 -5.31 -9.07 5 6 0 97 217.269 3 ↓

Analogs

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Popular Name: N-(((2R,3S,4R)-4-amino-3-hydroxytetrahydrofuran-2-yl)methyl)acetamide N-(((2R,3S,4R)-4-amino-3-hydroxy…

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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 -5.32 -50.25 5 5 1 86 175.208 2 ↓
Mid Mid (pH 6-8) -2.49 -5.64 -8.6 4 5 0 85 174.2 2 ↓

Analogs

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Popular Name: N-((3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl)-2-methoxyacetamide N-((3R,4S,5R)-4-hydroxy-5-(hydro…

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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) -2.05 -5.6 -16.08 3 6 0 88 205.21 4 ↓

Analogs

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Popular Name: N-((3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl)isonicotinamide N-((3R,4S,5R)-4-hydroxy-5-(hydro…

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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) -1.62 -4.42 -14.34 3 6 0 92 238.243 3 ↓

Analogs

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Popular Name: 3-fluoro-N-((3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl)benzamide 3-fluoro-N-((3R,4S,5R)-4-hydroxy…

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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 -2.6 -12.22 3 5 0 79 255.245 3 ↓

Analogs

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Popular Name: 4-fluoro-N-((3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl)benzenesulfonamide 4-fluoro-N-((3R,4S,5R)-4-hydroxy…

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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) -0.29 -4.83 -12.97 3 6 0 96 291.3 4 ↓

Analogs

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Popular Name: N-((3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl)-4-methylbenzenesulfonamide N-((3R,4S,5R)-4-hydroxy-5-(hydro…

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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) 0.00 -4.22 -13.25 3 6 0 96 287.337 4 ↓

Analogs

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Popular Name: (S)-1-((R)-1-(4-chlorophenyl)-2-(methylamino)-2-oxoethyl)pyrrolidine-2-carboxylic acid (S)-1-((R)-1-(4-chlorophenyl)-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) -0.11 5.82 -64.7 1 5 -1 72 295.746 4 ↓
Mid Mid (pH 6-8) -0.11 7.14 -47.55 2 5 0 74 296.754 4 ↓

Analogs

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Popular Name: (S)-methyl 2-(2-hydroxy-1-pivalamidoethyl)oxazole-4-carboxylate (S)-methyl 2-(2-hydroxy-1-pivala…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.00 -1.49 -11.09 2 7 0 102 270.285 6 ↓

Analogs

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Popular Name: (S)-methyl 2-(1-benzamido-2-hydroxyethyl)oxazole-4-carboxylate (S)-methyl 2-(1-benzamido-2-hydr…

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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) 0.68 -0.43 -12.23 2 7 0 102 290.275 6 ↓

Analogs

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Popular Name: (S)-methyl 2-(2-hydroxy-1-(tetrahydro-2H-pyran-4-ylamino)ethyl)oxazole-4-carboxylate (S)-methyl 2-(2-hydroxy-1-(tetra…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.02 -2.08 -45.72 3 7 1 98 271.293 6 ↓
Hi High (pH 8-9.5) 0.02 -3.09 -9.03 2 7 0 94 270.285 6 ↓

Analogs

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Popular Name: (S)-methyl 2-(1-(benzylamino)-2-hydroxyethyl)oxazole-4-carboxylate (S)-methyl 2-(1-(benzylamino)-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) 1.04 0.99 -47.99 3 6 1 89 277.3 7 ↓
Mid Mid (pH 6-8) 1.04 -0.33 -9.72 2 6 0 85 276.292 7 ↓

Analogs

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Popular Name: (R)-3-(4-(pyridin-3-yl)-1H-imidazol-2-yl)morpholine (R)-3-(4-(pyridin-3-yl)-1H-imida…

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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) 0.22 1.19 -9.07 2 5 0 63 230.271 2 ↓
Mid Mid (pH 6-8) 0.22 1.39 -34.26 3 5 1 64 231.279 2 ↓
Mid Mid (pH 6-8) 0.22 1.18 -7.93 2 5 0 63 230.271 2 ↓

Analogs

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Popular Name: (2S,3S,4R,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-(methylamino)tetrahydrofuran-3-ol (2S,3S,4R,5R)-5-(aminomethyl)-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) -2.57 -5.86 -108.74 7 5 2 94 178.232 3 ↓
Hi High (pH 8-9.5) -2.57 -7.68 -7.22 5 5 0 88 176.216 3 ↓
Mid Mid (pH 6-8) -2.57 -6.25 -39.06 6 5 1 92 177.224 3 ↓

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) 3.70 6.56 -10.38 1 4 0 59 285.324 3 ↓
Hi High (pH 8-9.5) 3.70 7.56 -47.56 0 4 -1 62 284.316 3 ↓

Analogs

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Popular Name: (S)-1-((R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxylic acid (S)-1-((R)-1-(methylamino)-1-oxo…

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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) -0.58 7.55 -54.19 2 5 0 74 276.336 5 ↓
Hi High (pH 8-9.5) -0.58 6.15 -66.91 1 5 -1 72 275.328 5 ↓

Analogs

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Popular Name: (S)-1-((R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl)pyrrolidine-2-carboxylic acid (S)-1-((R)-1-cyclohexyl-2-(methy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.10 6.78 -48.77 2 5 0 74 268.357 4 ↓
Hi High (pH 8-9.5) -0.10 5.4 -65.35 1 5 -1 72 267.349 4 ↓

Analogs

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Popular Name: (S)-1-((R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl)pyrrolidine-2-carboxylic acid (S)-1-((R)-1-(2-fluorophenyl)-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) -0.67 5.48 -63.72 1 5 -1 72 279.291 4 ↓
Lo Low (pH 4.5-6) -0.67 6.69 -41.18 2 5 0 74 280.299 4 ↓

Analogs

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Popular Name: (1R,2S,3R)-3-amino-4-p-tolylcyclopentane-1,2-diol (1R,2S,3R)-3-amino-4-p-tolylcycl…

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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) 0.53 0.18 -45.88 5 3 1 68 208.281 1 ↓
Hi High (pH 8-9.5) 0.53 -0.11 -4.62 4 3 0 66 207.273 1 ↓

Analogs

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Popular Name: (1R,2S,3R)-3-amino-4-p-tolylcyclopentane-1,2-diol (1R,2S,3R)-3-amino-4-p-tolylcycl…

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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) 0.53 0.09 -37.61 5 3 1 68 208.281 1 ↓
Hi High (pH 8-9.5) 0.53 0.03 -4.93 4 3 0 66 207.273 1 ↓

Analogs

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Popular Name: (1R,2S,3R)-3-amino-4-cyclohexylcyclopentane-1,2-diol (1R,2S,3R)-3-amino-4-cyclohexylc…

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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) 0.68 -0.1 -48.16 5 3 1 68 200.302 1 ↓
Hi High (pH 8-9.5) 0.68 -0.39 -4.15 4 3 0 66 199.294 1 ↓

Analogs

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Popular Name: (1R,2S,3R)-3-amino-4-cyclohexylcyclopentane-1,2-diol (1R,2S,3R)-3-amino-4-cyclohexylc…

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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) 0.68 -0.15 -42.81 5 3 1 68 200.302 1 ↓
Hi High (pH 8-9.5) 0.68 -0.11 -4.27 4 3 0 66 199.294 1 ↓

Analogs

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Popular Name: (1R,2S,3R)-3-amino-4-(pyridin-4-yl)cyclopentane-1,2-diol (1R,2S,3R)-3-amino-4-(pyridin-4-…

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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) -1.20 -2.25 -50.42 5 4 1 81 195.242 1 ↓
Hi High (pH 8-9.5) -1.20 -2.54 -6.08 4 4 0 79 194.234 1 ↓
Lo Low (pH 4.5-6) -1.20 -1.79 -100.51 6 4 2 82 196.25 1 ↓

Analogs

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Popular Name: (1R,2S,3R)-3-amino-4-(pyridin-4-yl)cyclopentane-1,2-diol (1R,2S,3R)-3-amino-4-(pyridin-4-…

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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) -1.20 -2.35 -41.57 5 4 1 81 195.242 1 ↓
Hi High (pH 8-9.5) -1.20 -2.4 -6.49 4 4 0 79 194.234 1 ↓
Lo Low (pH 4.5-6) -1.20 -1.89 -103.58 6 4 2 82 196.25 1 ↓

Analogs

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Popular Name: (1R,2S,3R)-3-amino-4-m-tolylcyclopentane-1,2-diol (1R,2S,3R)-3-amino-4-m-tolylcycl…

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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) 0.51 0.17 -45.93 5 3 1 68 208.281 1 ↓
Hi High (pH 8-9.5) 0.51 -0.11 -4.55 4 3 0 66 207.273 1 ↓

Analogs

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Popular Name: (1R,2S,3R)-3-amino-4-m-tolylcyclopentane-1,2-diol (1R,2S,3R)-3-amino-4-m-tolylcycl…

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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) 0.51 0.09 -37.59 5 3 1 68 208.281 1 ↓
Hi High (pH 8-9.5) 0.51 0.02 -4.98 4 3 0 66 207.273 1 ↓

Analogs

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Popular Name: (1R,2S,3R)-3-amino-4-(6-morpholinopyridin-3-yl)cyclopentane-1,2-diol (1R,2S,3R)-3-amino-4-(6-morpholi…

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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) -1.33 -0.81 -102.1 6 6 2 95 281.356 2 ↓
Hi High (pH 8-9.5) -1.33 -1.41 -8.15 4 6 0 92 279.34 2 ↓
Hi High (pH 8-9.5) -1.33 -1.13 -51.37 5 6 1 93 280.348 2 ↓

Analogs

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Popular Name: (1R,2S,3R)-3-amino-4-(6-morpholinopyridin-3-yl)cyclopentane-1,2-diol (1R,2S,3R)-3-amino-4-(6-morpholi…

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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) -1.33 -0.83 -104.79 6 6 2 95 281.356 2 ↓
Hi High (pH 8-9.5) -1.33 -1.33 -7.75 4 6 0 92 279.34 2 ↓
Hi High (pH 8-9.5) -1.33 -1.16 -43.07 5 6 1 93 280.348 2 ↓

Analogs

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Popular Name: (S)-2-(1-amino-2-hydroxyethyl)-N-benzyloxazole-4-carboxamide (S)-2-(1-amino-2-hydroxyethyl)-N…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.85 -3.31 -46.96 5 6 1 103 262.289 5 ↓
Hi High (pH 8-9.5) -1.85 -3.7 -8.18 4 6 0 101 261.281 5 ↓

Analogs

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Popular Name: 2-((2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetrahydrofuran-2-yl)-N-cyclopropylacetamide 2-((2S,3R,4S,5R)-5-(aminomethyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.69 -4.07 -46.25 6 6 1 106 231.272 4 ↓

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Popular Name: 2-((2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetrahydrofuran-2-yl)-N-(prop-2-ynyl)acetamide 2-((2S,3R,4S,5R)-5-(aminomethyl)…

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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) -0.90 -4.44 -46.53 6 6 1 106 229.256 4 ↓

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Popular Name: (4aR,7aS)-6-(cyclopropylmethyl)-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-b][1,4]oxazin-3-one (4aR,7aS)-6-(cyclopropylmethyl)-…

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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) 0.00 2.43 -42.92 2 4 1 43 197.258 2 ↓
Mid Mid (pH 6-8) 0.00 0.08 -7.53 1 4 0 42 196.25 2 ↓

Analogs

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Popular Name: 1-cyclohexyl-3-(((3R,4S,7R)-3-vinylquinuclidin-7-yl)methyl)urea 1-cyclohexyl-3-(((3R,4S,7R)-3-vi…

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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 -2.61 -42 3 4 1 45 292.447 4 ↓

Analogs

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Popular Name: N-(((2R,3S,4R)-4-amino-3-hydroxytetrahydrofuran-2-yl)methyl)-2-methoxyacetamide N-(((2R,3S,4R)-4-amino-3-hydroxy…

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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) -2.55 -5.15 -53.04 5 6 1 95 205.234 4 ↓
Mid Mid (pH 6-8) -2.55 -5.45 -11.12 4 6 0 94 204.226 4 ↓

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