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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-ethyl-N-tetrahydropyran-4-yl-piperidin-3-amine (3R)-N-ethyl-N-tetrahydropyran-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) 0.92 2.35 -39.43 2 3 1 29 213.345 3 ↓
Hi High (pH 8-9.5) 0.92 1.07 -1.78 1 3 0 24 212.337 3 ↓
Mid Mid (pH 6-8) 0.92 4.29 -107.16 3 3 2 30 214.353 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-ethyl-N-tetrahydropyran-4-yl-piperidin-3-amine (3S)-N-ethyl-N-tetrahydropyran-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) 0.92 2.4 -39.56 2 3 1 29 213.345 3 ↓
Hi High (pH 8-9.5) 0.92 1 -1.98 1 3 0 24 212.337 3 ↓
Mid Mid (pH 6-8) 0.92 4.35 -105.62 3 3 2 30 214.353 3 ↓

Analogs

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Popular Name: (3S,6R)-N,6-dimethyl-N-tetrahydropyran-4-yl-piperidin-3-amine (3S,6R)-N,6-dimethyl-N-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) 1.22 2.03 -39.36 2 3 1 29 213.345 2 ↓
Hi High (pH 8-9.5) 1.22 0.79 -2.03 1 3 0 24 212.337 2 ↓
Mid Mid (pH 6-8) 1.22 2.95 -33.88 2 3 1 26 213.345 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S)-N,6-dimethyl-N-tetrahydropyran-4-yl-piperidin-3-amine (3S,6S)-N,6-dimethyl-N-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) 1.22 2.3 -38.2 2 3 1 29 213.345 2 ↓
Hi High (pH 8-9.5) 1.22 1.01 -1.67 1 3 0 24 212.337 2 ↓
Mid Mid (pH 6-8) 1.22 3.25 -33.98 2 3 1 26 213.345 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R)-N,6-dimethyl-N-tetrahydropyran-4-yl-piperidin-3-amine (3R,6R)-N,6-dimethyl-N-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) 1.22 2.33 -36.9 2 3 1 29 213.345 2 ↓
Hi High (pH 8-9.5) 1.22 1.07 -1.91 1 3 0 24 212.337 2 ↓
Mid Mid (pH 6-8) 1.22 3.23 -33.06 2 3 1 26 213.345 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S)-N,6-dimethyl-N-tetrahydropyran-4-yl-piperidin-3-amine (3R,6S)-N,6-dimethyl-N-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) 1.22 2.05 -37.8 2 3 1 29 213.345 2 ↓
Hi High (pH 8-9.5) 1.22 0.79 -1.82 1 3 0 24 212.337 2 ↓
Mid Mid (pH 6-8) 1.22 2.96 -33.05 2 3 1 26 213.345 2 ↓

Analogs

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Popular Name: (3S)-1-ethyl-N-[(2R,4R)-2-methyltetrahydropyran-4-yl]piperidin-3-amine (3S)-1-ethyl-N-[(2R,4R)-2-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) 1.63 4.88 -35.11 2 3 1 26 227.372 3 ↓
Lo Low (pH 4.5-6) 1.63 5.9 -109.69 3 3 2 30 228.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-ethyl-N-[(2R,4R)-2-methyltetrahydropyran-4-yl]piperidin-3-amine (3R)-1-ethyl-N-[(2R,4R)-2-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) 1.63 4.88 -32.9 2 3 1 26 227.372 3 ↓
Lo Low (pH 4.5-6) 1.63 5.88 -109.57 3 3 2 30 228.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-1-methyl-piperidin-3-amine (3R)-N-[(4R)-2,2-dimethyltetrahy…

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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 4.62 -35.38 2 3 1 26 227.372 2 ↓
Lo Low (pH 4.5-6) 1.70 5.61 -109.99 3 3 2 30 228.38 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-1-methyl-piperidin-3-amine (3R)-N-[(4S)-2,2-dimethyltetrahy…

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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 4.62 -35.81 2 3 1 26 227.372 2 ↓
Lo Low (pH 4.5-6) 1.70 5.63 -110.19 3 3 2 30 228.38 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-1-methyl-piperidin-3-amine (3S)-N-[(4R)-2,2-dimethyltetrahy…

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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 4.64 -34.48 2 3 1 26 227.372 2 ↓
Lo Low (pH 4.5-6) 1.70 5.63 -110.15 3 3 2 30 228.38 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-1-methyl-piperidin-3-amine (3S)-N-[(4S)-2,2-dimethyltetrahy…

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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 4.62 -34.23 2 3 1 26 227.372 2 ↓
Lo Low (pH 4.5-6) 1.70 5.61 -110 3 3 2 30 228.38 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(2R,4R)-2-ethyltetrahydropyran-4-yl]-1-methyl-piperidin-3-amine (3R)-N-[(2R,4R)-2-ethyltetrahydr…

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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 5.05 -35.1 2 3 1 26 227.372 3 ↓
Lo Low (pH 4.5-6) 1.76 6.05 -109.26 3 3 2 30 228.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(2S,4R)-2-ethyltetrahydropyran-4-yl]-1-methyl-piperidin-3-amine (3R)-N-[(2S,4R)-2-ethyltetrahydr…

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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 5.3 -35.42 2 3 1 26 227.372 3 ↓
Lo Low (pH 4.5-6) 1.76 6.23 -108.88 3 3 2 30 228.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(2R,4S)-2-ethyltetrahydropyran-4-yl]-1-methyl-piperidin-3-amine (3R)-N-[(2R,4S)-2-ethyltetrahydr…

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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 5.32 -35.84 2 3 1 26 227.372 3 ↓
Lo Low (pH 4.5-6) 1.76 6.25 -109.32 3 3 2 30 228.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(2S,4S)-2-ethyltetrahydropyran-4-yl]-1-methyl-piperidin-3-amine (3R)-N-[(2S,4S)-2-ethyltetrahydr…

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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 5.06 -35.45 2 3 1 26 227.372 3 ↓
Lo Low (pH 4.5-6) 1.76 6.07 -109.63 3 3 2 30 228.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-methyl-N-[(2R,4R)-2-methyltetrahydropyran-4-yl]piperidin-3-amine (3R)-1-methyl-N-[(2R,4R)-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) 1.25 4.23 -35.24 2 3 1 26 213.345 2 ↓
Lo Low (pH 4.5-6) 1.25 5.22 -108.89 3 3 2 30 214.353 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-methyl-N-[(2S,4R)-2-methyltetrahydropyran-4-yl]piperidin-3-amine (3R)-1-methyl-N-[(2S,4R)-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) 1.25 3.96 -35.25 2 3 1 26 213.345 2 ↓
Lo Low (pH 4.5-6) 1.25 4.95 -108.76 3 3 2 30 214.353 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-methyl-N-[(2R,4S)-2-methyltetrahydropyran-4-yl]piperidin-3-amine (3R)-1-methyl-N-[(2R,4S)-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) 1.25 3.97 -35.46 2 3 1 26 213.345 2 ↓
Lo Low (pH 4.5-6) 1.25 4.97 -108.81 3 3 2 30 214.353 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-methyl-N-[(2S,4S)-2-methyltetrahydropyran-4-yl]piperidin-3-amine (3R)-1-methyl-N-[(2S,4S)-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) 1.25 4.23 -35.46 2 3 1 26 213.345 2 ↓
Lo Low (pH 4.5-6) 1.25 5.25 -108.97 3 3 2 30 214.353 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(2R,4R)-2-ethyltetrahydropyran-4-yl]-N-methyl-piperidin-3-amine (3R)-N-[(2R,4R)-2-ethyltetrahydr…

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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 3.2 -39.16 2 3 1 29 227.372 3 ↓
Mid Mid (pH 6-8) 1.41 1.91 -1.92 1 3 0 24 226.364 3 ↓
Mid Mid (pH 6-8) 1.41 4.08 -33.45 2 3 1 26 227.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(2S,4R)-2-ethyltetrahydropyran-4-yl]-N-methyl-piperidin-3-amine (3R)-N-[(2S,4R)-2-ethyltetrahydr…

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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 2.98 -38.91 2 3 1 29 227.372 3 ↓
Mid Mid (pH 6-8) 1.41 3.81 -33.28 2 3 1 26 227.372 3 ↓
Mid Mid (pH 6-8) 1.41 1.62 -1.83 1 3 0 24 226.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(2R,4S)-2-ethyltetrahydropyran-4-yl]-N-methyl-piperidin-3-amine (3R)-N-[(2R,4S)-2-ethyltetrahydr…

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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 2.96 -40.99 2 3 1 29 227.372 3 ↓
Mid Mid (pH 6-8) 1.41 3.82 -33.41 2 3 1 26 227.372 3 ↓
Mid Mid (pH 6-8) 1.41 1.64 -1.81 1 3 0 24 226.364 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(2S,4S)-2-ethyltetrahydropyran-4-yl]-N-methyl-piperidin-3-amine (3R)-N-[(2S,4S)-2-ethyltetrahydr…

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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 3.21 -40.52 2 3 1 29 227.372 3 ↓
Mid Mid (pH 6-8) 1.41 1.9 -1.95 1 3 0 24 226.364 3 ↓
Mid Mid (pH 6-8) 1.41 4.07 -33.42 2 3 1 26 227.372 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-methyl-N-[(2R,4R)-2-methyltetrahydropyran-4-yl]piperidin-3-amine (3R)-N-methyl-N-[(2R,4R)-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) 0.90 2.41 -39.02 2 3 1 29 213.345 2 ↓
Mid Mid (pH 6-8) 0.90 1.06 -2.08 1 3 0 24 212.337 2 ↓
Mid Mid (pH 6-8) 0.90 3.25 -33.15 2 3 1 26 213.345 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-methyl-N-[(2S,4R)-2-methyltetrahydropyran-4-yl]piperidin-3-amine (3R)-N-methyl-N-[(2S,4R)-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) 0.90 2.14 -39.02 2 3 1 29 213.345 2 ↓
Mid Mid (pH 6-8) 0.90 0.79 -1.99 1 3 0 24 212.337 2 ↓
Mid Mid (pH 6-8) 0.90 2.98 -32.96 2 3 1 26 213.345 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-methyl-N-[(2R,4S)-2-methyltetrahydropyran-4-yl]piperidin-3-amine (3R)-N-methyl-N-[(2R,4S)-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) 0.90 2.13 -41.02 2 3 1 29 213.345 2 ↓
Mid Mid (pH 6-8) 0.90 0.81 -2.01 1 3 0 24 212.337 2 ↓
Mid Mid (pH 6-8) 0.90 2.99 -33.02 2 3 1 26 213.345 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-methyl-N-[(2S,4S)-2-methyltetrahydropyran-4-yl]piperidin-3-amine (3R)-N-methyl-N-[(2S,4S)-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) 0.90 2.39 -40.74 2 3 1 29 213.345 2 ↓
Mid Mid (pH 6-8) 0.90 3.25 -33.18 2 3 1 26 213.345 2 ↓
Mid Mid (pH 6-8) 0.90 1.07 -2.14 1 3 0 24 212.337 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-N-methyl-piperidin-3-amine (3R)-N-[(4R)-2,2-dimethyltetrahy…

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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) 1.35 2.81 -39.25 2 3 1 29 227.372 2 ↓
Hi High (pH 8-9.5) 1.35 1.44 -2.04 1 3 0 24 226.364 2 ↓
Mid Mid (pH 6-8) 1.35 3.64 -33.38 2 3 1 26 227.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-N-methyl-piperidin-3-amine (3R)-N-[(4S)-2,2-dimethyltetrahy…

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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) 1.35 2.78 -41.29 2 3 1 29 227.372 2 ↓
Hi High (pH 8-9.5) 1.35 1.45 -2.07 1 3 0 24 226.364 2 ↓
Mid Mid (pH 6-8) 1.35 3.64 -33.53 2 3 1 26 227.372 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-ethyl-N-[(2R,4R)-2-methyltetrahydropyran-4-yl]piperidin-3-amine (3R)-N-ethyl-N-[(2R,4R)-2-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) 1.28 2.92 -40.55 2 3 1 29 227.372 3 ↓
Hi High (pH 8-9.5) 1.28 1.8 -1.87 1 3 0 24 226.364 3 ↓
Mid Mid (pH 6-8) 1.28 5.1 -108.37 3 3 2 30 228.38 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-ethyl-N-[(2R,4S)-2-methyltetrahydropyran-4-yl]piperidin-3-amine (3R)-N-ethyl-N-[(2R,4S)-2-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) 1.28 2.87 -41.17 2 3 1 29 227.372 3 ↓
Hi High (pH 8-9.5) 1.28 1.55 -1.97 1 3 0 24 226.364 3 ↓
Mid Mid (pH 6-8) 1.28 4.82 -108.18 3 3 2 30 228.38 3 ↓

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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 = 242909 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=242909&filter.purchasability=annotated

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