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Analogs

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Popular Name: N-[[(2S)-1-(tetrahydropyran-4-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine N-[[(2S)-1-(tetrahydropyran-4-yl…

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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) 1.30 5.49 -113.69 3 3 2 30 228.38 5 ↓
Mid Mid (pH 6-8) 1.30 5.34 -32.15 2 3 1 26 227.372 5 ↓
Mid Mid (pH 6-8) 1.30 3.29 -39.61 2 3 1 29 227.372 5 ↓

Analogs

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Popular Name: N-[[(2R)-1-(tetrahydropyran-4-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine N-[[(2R)-1-(tetrahydropyran-4-yl…

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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) 1.30 6.51 -114.65 3 3 2 30 228.38 5 ↓
Mid Mid (pH 6-8) 1.30 5.15 -32.82 2 3 1 26 227.372 5 ↓
Mid Mid (pH 6-8) 1.30 4.99 -35.7 2 3 1 29 227.372 5 ↓

Analogs

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Popular Name: N-[[(2S)-1-(tetrahydropyran-4-ylmethyl)pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2S)-1-(tetrahydropyran-4-yl…

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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) 1.80 6.24 -115.9 3 3 2 30 242.407 6 ↓
Hi High (pH 8-9.5) 1.80 6.11 -32.47 2 3 1 26 241.399 6 ↓
Mid Mid (pH 6-8) 1.80 4.05 -40.53 2 3 1 29 241.399 6 ↓

Analogs

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Popular Name: N-[[(2R)-1-(tetrahydropyran-4-ylmethyl)pyrrolidin-2-yl]methyl]propan-1-amine N-[[(2R)-1-(tetrahydropyran-4-yl…

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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) 1.80 7.27 -117.23 3 3 2 30 242.407 6 ↓
Hi High (pH 8-9.5) 1.80 5.92 -33.08 2 3 1 26 241.399 6 ↓
Mid Mid (pH 6-8) 1.80 5.74 -36.6 2 3 1 29 241.399 6 ↓

Analogs

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Popular Name: N-[[(2S)-1-(tetrahydropyran-4-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2S)-1-(tetrahydropyran-4-yl…

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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) 1.95 6.03 -113.04 3 3 2 30 242.407 5 ↓
Mid Mid (pH 6-8) 1.95 3.82 -38.22 2 3 1 29 241.399 5 ↓

Analogs

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Popular Name: N-[[(2R)-1-(tetrahydropyran-4-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine N-[[(2R)-1-(tetrahydropyran-4-yl…

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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) 1.95 7.03 -113.63 3 3 2 30 242.407 5 ↓
Mid Mid (pH 6-8) 1.95 5.51 -34.22 2 3 1 29 241.399 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[(2S)-1-(tetrahydropyran-4-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine 2-methyl-N-[[(2S)-1-(tetrahydrop…

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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) 2.46 7.44 -112.95 3 3 2 30 256.434 5 ↓
Mid Mid (pH 6-8) 2.46 5.85 -33.18 2 3 1 29 255.426 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[(2R)-1-(tetrahydropyran-4-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine 2-methyl-N-[[(2R)-1-(tetrahydrop…

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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) 2.46 7.45 -112.64 3 3 2 30 256.434 5 ↓
Mid Mid (pH 6-8) 2.46 5.93 -32.96 2 3 1 29 255.426 5 ↓

Analogs

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Popular Name: 2-methyl-N-[[(2S)-1-(tetrahydropyran-4-ylmethyl)pyrrolidin-2-yl]methyl]propan-1-amine 2-methyl-N-[[(2S)-1-(tetrahydrop…

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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 6.93 -117.08 3 3 2 30 256.434 6 ↓
Mid Mid (pH 6-8) 2.05 4.74 -40.47 2 3 1 29 255.426 6 ↓

Analogs

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Popular Name: 2-methyl-N-[[(2R)-1-(tetrahydropyran-4-ylmethyl)pyrrolidin-2-yl]methyl]propan-1-amine 2-methyl-N-[[(2R)-1-(tetrahydrop…

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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 7.95 -118.29 3 3 2 30 256.434 6 ↓
Mid Mid (pH 6-8) 2.05 6.34 -36.41 2 3 1 29 255.426 6 ↓

Analogs

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Popular Name: 2-methoxy-N-[[(2S)-1-(tetrahydropyran-4-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine 2-methoxy-N-[[(2S)-1-(tetrahydro…

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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) 0.91 4.5 -32.74 2 4 1 35 257.398 7 ↓
Mid Mid (pH 6-8) 0.91 2.44 -39.79 2 4 1 38 257.398 7 ↓
Mid Mid (pH 6-8) 0.91 4.64 -114.71 3 4 2 40 258.406 7 ↓

Analogs

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Popular Name: 2-methoxy-N-[[(2R)-1-(tetrahydropyran-4-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine 2-methoxy-N-[[(2R)-1-(tetrahydro…

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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) 0.91 4.31 -31.78 2 4 1 35 257.398 7 ↓
Mid Mid (pH 6-8) 0.91 5.65 -113.08 3 4 2 40 258.406 7 ↓
Mid Mid (pH 6-8) 0.91 4.11 -35.8 2 4 1 38 257.398 7 ↓

Analogs

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Popular Name: (3S)-3-methyl-1-(tetrahydropyran-4-ylmethyl)pyrrolidine-3-carboxylic (3S)-3-methyl-1-(tetrahydropyran…

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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) 1.09 6.56 -49.19 1 4 0 54 227.304 3 ↓

Analogs

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Popular Name: (3R)-3-methyl-1-(tetrahydropyran-4-ylmethyl)pyrrolidine-3-carboxylic (3R)-3-methyl-1-(tetrahydropyran…

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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) 1.09 6.54 -48.81 1 4 0 54 227.304 3 ↓

Analogs

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Popular Name: (3S)-3-ethyl-1-(tetrahydropyran-4-ylmethyl)pyrrolidine-3-carboxylic (3S)-3-ethyl-1-(tetrahydropyran-…

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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) 1.43 7.06 -44.61 1 4 0 54 241.331 4 ↓

Analogs

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Popular Name: (3R)-3-ethyl-1-(tetrahydropyran-4-ylmethyl)pyrrolidine-3-carboxylic (3R)-3-ethyl-1-(tetrahydropyran-…

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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) 1.43 7 -47.68 1 4 0 54 241.331 4 ↓

Analogs

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Popular Name: (3S)-3-propyl-1-(tetrahydropyran-4-ylmethyl)pyrrolidine-3-carboxylic (3S)-3-propyl-1-(tetrahydropyran…

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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) 1.99 7.83 -44.54 1 4 0 54 255.358 5 ↓

Analogs

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Popular Name: (3R)-3-propyl-1-(tetrahydropyran-4-ylmethyl)pyrrolidine-3-carboxylic (3R)-3-propyl-1-(tetrahydropyran…

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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) 1.99 7.78 -47.4 1 4 0 54 255.358 5 ↓

Analogs

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Popular Name: (3R)-1-[(1R)-2-amino-1-tetrahydropyran-4-yl-ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[(1R)-2-amino-1-tetrahydr…

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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) 0.04 2.06 -96.89 4 4 2 45 243.395 4 ↓
Hi High (pH 8-9.5) 0.04 -0.35 -43.95 3 4 1 43 242.387 4 ↓

Analogs

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Popular Name: (3S)-1-[(1R)-2-amino-1-tetrahydropyran-4-yl-ethyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(1R)-2-amino-1-tetrahydr…

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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) 0.04 1.92 -110.38 4 4 2 45 243.395 4 ↓
Hi High (pH 8-9.5) 0.04 -0.47 -44.96 3 4 1 43 242.387 4 ↓

Analogs

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Popular Name: 4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]tetrahydropyran-4-carbaldehyde 4-[[(3R)-3-(dimethylamino)pyrrol…

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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) 0.77 4.25 -40.59 1 4 1 34 241.355 4 ↓
Hi High (pH 8-9.5) 0.77 1.83 -5.68 0 4 0 33 240.347 4 ↓
Lo Low (pH 4.5-6) 0.77 6.07 -113.93 2 4 2 35 242.363 4 ↓

Analogs

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Popular Name: 4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]tetrahydropyran-4-carbaldehyde 4-[[(3S)-3-(dimethylamino)pyrrol…

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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) 0.77 4.07 -39.83 1 4 1 34 241.355 4 ↓
Hi High (pH 8-9.5) 0.77 1.68 -4.51 0 4 0 33 240.347 4 ↓
Lo Low (pH 4.5-6) 0.77 6.02 -116.78 2 4 2 35 242.363 4 ↓

Analogs

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Popular Name: 4-[[(3R)-3-(diethylamino)pyrrolidin-1-yl]methyl]tetrahydropyran-4-carbaldehyde 4-[[(3R)-3-(diethylamino)pyrroli…

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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) 1.52 5.29 -38.68 1 4 1 34 269.409 6 ↓
Hi High (pH 8-9.5) 1.52 3.17 -5.55 0 4 0 33 268.401 6 ↓
Lo Low (pH 4.5-6) 1.52 7.09 -114.45 2 4 2 35 270.417 6 ↓

Analogs

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Popular Name: 4-[[(3S)-3-(diethylamino)pyrrolidin-1-yl]methyl]tetrahydropyran-4-carbaldehyde 4-[[(3S)-3-(diethylamino)pyrroli…

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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) 1.52 5 -37.78 1 4 1 34 269.409 6 ↓
Hi High (pH 8-9.5) 1.52 2.96 -5.38 0 4 0 33 268.401 6 ↓
Lo Low (pH 4.5-6) 1.52 7.04 -114.44 2 4 2 35 270.417 6 ↓

Analogs

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Popular Name: (3S)-1-[[4-(ethylaminomethyl)tetrahydropyran-4-yl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[[4-(ethylaminomethyl)tet…

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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) 0.76 5.07 -87.11 3 4 2 34 271.449 6 ↓
Hi High (pH 8-9.5) 0.76 2.67 -38.95 2 4 1 32 270.441 6 ↓
Lo Low (pH 4.5-6) 0.76 6.97 -198.13 4 4 3 35 272.457 6 ↓

Analogs

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Popular Name: (3R)-1-[[4-(ethylaminomethyl)tetrahydropyran-4-yl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[[4-(ethylaminomethyl)tet…

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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) 0.76 5.14 -86.69 3 4 2 34 271.449 6 ↓
Hi High (pH 8-9.5) 0.76 2.75 -38.98 2 4 1 32 270.441 6 ↓
Lo Low (pH 4.5-6) 0.76 6.93 -197.86 4 4 3 35 272.457 6 ↓

Analogs

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Popular Name: (3S)-N,N-dimethyl-1-[[4-(propylaminomethyl)tetrahydropyran-4-yl]methyl]pyrrolidin-3-amine (3S)-N,N-dimethyl-1-[[4-(propyla…

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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) 1.26 5.93 -92 3 4 2 34 285.476 7 ↓
Hi High (pH 8-9.5) 1.26 3.54 -41.17 2 4 1 32 284.468 7 ↓
Lo Low (pH 4.5-6) 1.26 7.85 -202.53 4 4 3 35 286.484 7 ↓

Analogs

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Popular Name: (3R)-N,N-dimethyl-1-[[4-(propylaminomethyl)tetrahydropyran-4-yl]methyl]pyrrolidin-3-amine (3R)-N,N-dimethyl-1-[[4-(propyla…

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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) 1.26 5.89 -87.82 3 4 2 34 285.476 7 ↓
Hi High (pH 8-9.5) 1.26 3.5 -39.89 2 4 1 32 284.468 7 ↓
Lo Low (pH 4.5-6) 1.26 7.68 -200.1 4 4 3 35 286.484 7 ↓

Analogs

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Popular Name: (3S)-1-[[4-[(isopropylamino)methyl]tetrahydropyran-4-yl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[[4-[(isopropylamino)meth…

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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) 1.41 5.58 -85.86 3 4 2 34 285.476 6 ↓
Hi High (pH 8-9.5) 1.41 3.18 -37.35 2 4 1 32 284.468 6 ↓
Lo Low (pH 4.5-6) 1.41 7.49 -197.92 4 4 3 35 286.484 6 ↓

Analogs

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Popular Name: (3R)-1-[[4-[(isopropylamino)methyl]tetrahydropyran-4-yl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[[4-[(isopropylamino)meth…

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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) 1.41 5.66 -85.37 3 4 2 34 285.476 6 ↓
Hi High (pH 8-9.5) 1.41 3.27 -37.42 2 4 1 32 284.468 6 ↓
Lo Low (pH 4.5-6) 1.41 7.45 -197.25 4 4 3 35 286.484 6 ↓

Analogs

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Popular Name: (3S)-1-[[4-[(tert-butylamino)methyl]tetrahydropyran-4-yl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[[4-[(tert-butylamino)met…

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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 5.99 -84.54 3 4 2 34 299.503 6 ↓
Hi High (pH 8-9.5) 1.92 3.59 -35.56 2 4 1 32 298.495 6 ↓
Lo Low (pH 4.5-6) 1.92 7.9 -197.01 4 4 3 35 300.511 6 ↓

Analogs

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Popular Name: (3R)-1-[[4-[(tert-butylamino)methyl]tetrahydropyran-4-yl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[[4-[(tert-butylamino)met…

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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 6.04 -84.04 3 4 2 34 299.503 6 ↓
Hi High (pH 8-9.5) 1.92 3.67 -35.65 2 4 1 32 298.495 6 ↓
Lo Low (pH 4.5-6) 1.92 7.85 -196.69 4 4 3 35 300.511 6 ↓

Analogs

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Popular Name: (3S)-1-[[4-[(isobutylamino)methyl]tetrahydropyran-4-yl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[[4-[(isobutylamino)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) 1.51 6.51 -88.77 3 4 2 34 299.503 7 ↓
Hi High (pH 8-9.5) 1.51 4.11 -39.56 2 4 1 32 298.495 7 ↓
Lo Low (pH 4.5-6) 1.51 8.41 -202.2 4 4 3 35 300.511 7 ↓

Analogs

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Popular Name: (3R)-1-[[4-[(isobutylamino)methyl]tetrahydropyran-4-yl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[[4-[(isobutylamino)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) 1.51 6.59 -88.25 3 4 2 34 299.503 7 ↓
Hi High (pH 8-9.5) 1.51 4.19 -39.7 2 4 1 32 298.495 7 ↓
Lo Low (pH 4.5-6) 1.51 8.39 -201.85 4 4 3 35 300.511 7 ↓

Analogs

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Popular Name: (3R)-1-[[4-(aminomethyl)tetrahydropyran-4-yl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[[4-(aminomethyl)tetrahyd…

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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) -0.25 2.31 -92.1 4 4 2 45 243.395 4 ↓
Hi High (pH 8-9.5) -0.25 -0.1 -45.96 3 4 1 43 242.387 4 ↓
Lo Low (pH 4.5-6) -0.25 4.03 -201.42 5 4 3 46 244.403 4 ↓

Analogs

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Popular Name: (3S)-1-[[4-(aminomethyl)tetrahydropyran-4-yl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[[4-(aminomethyl)tetrahyd…

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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) -0.25 2.29 -91.95 4 4 2 45 243.395 4 ↓
Hi High (pH 8-9.5) -0.25 -0.09 -45.73 3 4 1 43 242.387 4 ↓
Lo Low (pH 4.5-6) -0.25 4.13 -200.78 5 4 3 46 244.403 4 ↓

Analogs

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Popular Name: (3S)-N,N-dimethyl-1-[[4-(methylaminomethyl)tetrahydropyran-4-yl]methyl]pyrrolidin-3-amine (3S)-N,N-dimethyl-1-[[4-(methyla…

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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) 0.73 4.2 -87.19 3 4 2 34 257.422 5 ↓
Hi High (pH 8-9.5) 0.73 1.8 -40.01 2 4 1 32 256.414 5 ↓
Lo Low (pH 4.5-6) 0.73 6.12 -195.93 4 4 3 35 258.43 5 ↓

Analogs

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Popular Name: (3R)-N,N-dimethyl-1-[[4-(methylaminomethyl)tetrahydropyran-4-yl]methyl]pyrrolidin-3-amine (3R)-N,N-dimethyl-1-[[4-(methyla…

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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) 0.73 4.28 -86.78 3 4 2 34 257.422 5 ↓
Hi High (pH 8-9.5) 0.73 1.9 -40.01 2 4 1 32 256.414 5 ↓
Lo Low (pH 4.5-6) 0.73 6.08 -195.7 4 4 3 35 258.43 5 ↓

Analogs

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Popular Name: (3S)-N,N-diethyl-1-[[4-(ethylaminomethyl)tetrahydropyran-4-yl]methyl]pyrrolidin-3-amine (3S)-N,N-diethyl-1-[[4-(ethylami…

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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) 1.51 5.95 -87.08 3 4 2 34 299.503 8 ↓
Hi High (pH 8-9.5) 1.51 3.85 -38.18 2 4 1 32 298.495 8 ↓
Lo Low (pH 4.5-6) 1.51 8.02 -203.84 4 4 3 35 300.511 8 ↓

Analogs

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Popular Name: (3R)-N,N-diethyl-1-[[4-(ethylaminomethyl)tetrahydropyran-4-yl]methyl]pyrrolidin-3-amine (3R)-N,N-diethyl-1-[[4-(ethylami…

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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) 1.51 6.12 -85.98 3 4 2 34 299.503 8 ↓
Hi High (pH 8-9.5) 1.51 3.87 -38.55 2 4 1 32 298.495 8 ↓
Lo Low (pH 4.5-6) 1.51 7.97 -200.32 4 4 3 35 300.511 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[4-(aminomethyl)tetrahydropyran-4-yl]methyl]-N,N-diethyl-pyrrolidin-3-amine (3R)-1-[[4-(aminomethyl)tetrahyd…

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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 3.36 -91.29 4 4 2 45 271.449 6 ↓
Hi High (pH 8-9.5) 0.51 1.22 -45.93 3 4 1 43 270.441 6 ↓
Lo Low (pH 4.5-6) 0.51 5.11 -202.74 5 4 3 46 272.457 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[4-(aminomethyl)tetrahydropyran-4-yl]methyl]-N,N-diethyl-pyrrolidin-3-amine (3S)-1-[[4-(aminomethyl)tetrahyd…

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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 3.4 -90.95 4 4 2 45 271.449 6 ↓
Hi High (pH 8-9.5) 0.51 1.34 -45.46 3 4 1 43 270.441 6 ↓
Lo Low (pH 4.5-6) 0.51 5.1 -202.91 5 4 3 46 272.457 6 ↓

Analogs

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Popular Name: (3R)-N,N-diethyl-1-[[4-(methylaminomethyl)tetrahydropyran-4-yl]methyl]pyrrolidin-3-amine (3R)-N,N-diethyl-1-[[4-(methylam…

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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) 1.49 5.26 -86.52 3 4 2 34 285.476 7 ↓
Hi High (pH 8-9.5) 1.49 3.22 -40.07 2 4 1 32 284.468 7 ↓
Lo Low (pH 4.5-6) 1.49 7 -199.4 4 4 3 35 286.484 7 ↓

Analogs

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Popular Name: (3S)-N,N-diethyl-1-[[4-(methylaminomethyl)tetrahydropyran-4-yl]methyl]pyrrolidin-3-amine (3S)-N,N-diethyl-1-[[4-(methylam…

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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) 1.49 5.38 -92.82 3 4 2 34 285.476 7 ↓
Hi High (pH 8-9.5) 1.49 3.19 -38.25 2 4 1 32 284.468 7 ↓
Lo Low (pH 4.5-6) 1.49 7.06 -213.66 4 4 3 35 286.484 7 ↓

Analogs

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Popular Name: 4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]tetrahydropyran-4-carboxylic 4-[[(3R)-3-(dimethylamino)pyrrol…

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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) 0.20 4.11 -33.82 1 5 0 57 256.346 4 ↓
Mid Mid (pH 6-8) 0.20 5.48 -64.64 1 5 0 57 256.346 4 ↓
Mid Mid (pH 6-8) 0.20 6.46 -87.84 2 5 1 58 257.354 4 ↓

Analogs

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Popular Name: 4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]tetrahydropyran-4-carboxylic 4-[[(3S)-3-(dimethylamino)pyrrol…

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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) 0.20 4.15 -35.26 1 5 0 57 256.346 4 ↓
Mid Mid (pH 6-8) 0.20 4.45 -65.49 1 5 0 57 256.346 4 ↓
Mid Mid (pH 6-8) 0.20 6.54 -91.71 2 5 1 58 257.354 4 ↓

Analogs

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Popular Name: 4-[[(3R)-3-(diethylamino)pyrrolidin-1-yl]methyl]tetrahydropyran-4-carboxylic 4-[[(3R)-3-(diethylamino)pyrroli…

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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) 0.95 7.57 -88.28 2 5 1 58 285.408 6 ↓
Mid Mid (pH 6-8) 0.95 5.63 -34.62 1 5 0 57 284.4 6 ↓
Mid Mid (pH 6-8) 0.95 6.5 -62.05 1 5 0 57 284.4 6 ↓

Analogs

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Popular Name: 4-[[(3S)-3-(diethylamino)pyrrolidin-1-yl]methyl]tetrahydropyran-4-carboxylic 4-[[(3S)-3-(diethylamino)pyrroli…

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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) 0.95 7.66 -90.42 2 5 1 58 285.408 6 ↓
Mid Mid (pH 6-8) 0.95 5.76 -60.65 1 5 0 57 284.4 6 ↓
Mid Mid (pH 6-8) 0.95 5.49 -36.9 1 5 0 57 284.4 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]tetrahydropyran-4-yl]methanol [4-[[(3R)-3-(dimethylamino)pyrro…

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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) 0.32 1.72 -39.33 2 4 1 37 243.371 4 ↓
Hi High (pH 8-9.5) 0.32 -0.69 -4.02 1 4 0 36 242.363 4 ↓
Lo Low (pH 4.5-6) 0.32 3.48 -113.77 3 4 2 38 244.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]tetrahydropyran-4-yl]methanol [4-[[(3S)-3-(dimethylamino)pyrro…

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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) 0.32 1.7 -39.28 2 4 1 37 243.371 4 ↓
Hi High (pH 8-9.5) 0.32 -0.7 -3.97 1 4 0 36 242.363 4 ↓
Lo Low (pH 4.5-6) 0.32 3.55 -114.29 3 4 2 38 244.379 4 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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