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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(tetrahydropyran-4-ylamino)cyclopentanecarbonitrile (1S,2R)-2-(tetrahydropyran-4-yla…

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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 4.46 -41.71 2 3 1 50 195.286 2 ↓
Hi High (pH 8-9.5) 1.52 3.7 -7.42 1 3 0 45 194.278 2 ↓

Analogs

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Popular Name: (1R,2R)-2-(tetrahydropyran-4-ylamino)cyclopentanecarbonitrile (1R,2R)-2-(tetrahydropyran-4-yla…

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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 4.34 -47.01 2 3 1 50 195.286 2 ↓
Hi High (pH 8-9.5) 1.52 3.39 -6.92 1 3 0 45 194.278 2 ↓

Analogs

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Popular Name: (1S,2S)-2-(tetrahydropyran-4-ylamino)cyclopentanecarbonitrile (1S,2S)-2-(tetrahydropyran-4-yla…

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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 4.32 -47.82 2 3 1 50 195.286 2 ↓
Hi High (pH 8-9.5) 1.52 3.19 -5.69 1 3 0 45 194.278 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(tetrahydropyran-4-ylamino)cyclopentanecarbonitrile (1R,2S)-2-(tetrahydropyran-4-yla…

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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 4.46 -43.06 2 3 1 50 195.286 2 ↓
Hi High (pH 8-9.5) 1.52 3.43 -8.38 1 3 0 45 194.278 2 ↓

Analogs

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Popular Name: [1-(tetrahydropyran-4-ylamino)cyclopentyl]methanol [1-(tetrahydropyran-4-ylamino)cy…

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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 1.05 -37.55 3 3 1 46 200.302 3 ↓
Hi High (pH 8-9.5) 1.31 -0.12 -3.14 2 3 0 41 199.294 3 ↓

Analogs

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Popular Name: N-cyclopentyl-N-tetrahydropyran-4-yl-propane-1,3-diamine N-cyclopentyl-N-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) 1.19 4.25 -108.12 4 3 2 41 228.38 5 ↓
Hi High (pH 8-9.5) 1.19 3.86 -33.26 3 3 1 40 227.372 5 ↓
Mid Mid (pH 6-8) 1.19 2.17 -43.2 3 3 1 40 227.372 5 ↓

Analogs

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Popular Name: 2-[cyclopentyl(tetrahydropyran-4-yl)amino]acetic 2-[cyclopentyl(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) 0.45 6.15 -28.72 1 4 0 54 227.304 4 ↓

Analogs

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Popular Name: 2-[cyclopentyl(tetrahydropyran-4-yl)amino]ethanol 2-[cyclopentyl(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) 1.48 2.91 -30.78 2 3 1 34 214.329 4 ↓

Analogs

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Popular Name: (2R,4R)-N-cyclopentyl-2-propyl-tetrahydropyran-4-amine (2R,4R)-N-cyclopentyl-2-propyl-t…

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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) 3.30 6.52 -37.01 2 2 1 26 212.357 4 ↓

Analogs

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Popular Name: (2S,4R)-N-cyclopentyl-2-propyl-tetrahydropyran-4-amine (2S,4R)-N-cyclopentyl-2-propyl-t…

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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) 3.30 6.71 -36.31 2 2 1 26 212.357 4 ↓

Analogs

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Popular Name: (2R,4S)-N-cyclopentyl-2-propyl-tetrahydropyran-4-amine (2R,4S)-N-cyclopentyl-2-propyl-t…

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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) 3.30 6.66 -36.47 2 2 1 26 212.357 4 ↓

Analogs

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Popular Name: (2S,4S)-N-cyclopentyl-2-propyl-tetrahydropyran-4-amine (2S,4S)-N-cyclopentyl-2-propyl-t…

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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) 3.30 6.47 -37.14 2 2 1 26 212.357 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-cyclopentyl-2-ethyl-2-methyl-tetrahydropyran-4-amine (2R,4R)-N-cyclopentyl-2-ethyl-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) 3.18 5.99 -37.13 2 2 1 26 212.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-cyclopentyl-2-ethyl-2-methyl-tetrahydropyran-4-amine (2S,4R)-N-cyclopentyl-2-ethyl-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) 3.18 6 -37.34 2 2 1 26 212.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-cyclopentyl-2-ethyl-2-methyl-tetrahydropyran-4-amine (2R,4S)-N-cyclopentyl-2-ethyl-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) 3.18 5.97 -37.32 2 2 1 26 212.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-cyclopentyl-2-ethyl-2-methyl-tetrahydropyran-4-amine (2S,4S)-N-cyclopentyl-2-ethyl-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) 3.18 6.03 -37.19 2 2 1 26 212.357 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R)-N-cyclopentyl-2,2-dimethyl-tetrahydropyran-4-amine (4R)-N-cyclopentyl-2,2-dimethyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.68 5.32 -37.11 2 2 1 26 198.33 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S)-N-cyclopentyl-2,2-dimethyl-tetrahydropyran-4-amine (4S)-N-cyclopentyl-2,2-dimethyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.68 5.32 -37.09 2 2 1 26 198.33 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-cyclopentyl-2-ethyl-tetrahydropyran-4-amine (2R,4R)-N-cyclopentyl-2-ethyl-te…

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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) 2.74 5.7 -37.06 2 2 1 26 198.33 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-cyclopentyl-2-ethyl-tetrahydropyran-4-amine (2S,4R)-N-cyclopentyl-2-ethyl-te…

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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) 2.74 5.93 -36.11 2 2 1 26 198.33 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4S)-N-cyclopentyl-2-ethyl-tetrahydropyran-4-amine (2R,4S)-N-cyclopentyl-2-ethyl-te…

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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) 2.74 5.95 -36.03 2 2 1 26 198.33 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-cyclopentyl-2-ethyl-tetrahydropyran-4-amine (2S,4S)-N-cyclopentyl-2-ethyl-te…

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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) 2.74 5.75 -36.98 2 2 1 26 198.33 3 ↓

Analogs

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Popular Name: (2R,4R)-N-cyclopentyl-2-methyl-tetrahydropyran-4-amine (2R,4R)-N-cyclopentyl-2-methyl-t…

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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) 2.23 4.87 -36.84 2 2 1 26 184.303 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4R)-N-cyclopentyl-2-methyl-tetrahydropyran-4-amine (2S,4R)-N-cyclopentyl-2-methyl-t…

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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) 2.23 4.66 -36.6 2 2 1 26 184.303 2 ↓

Analogs

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Popular Name: (2R,4S)-N-cyclopentyl-2-methyl-tetrahydropyran-4-amine (2R,4S)-N-cyclopentyl-2-methyl-t…

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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) 2.23 4.66 -36.58 2 2 1 26 184.303 2 ↓

Analogs

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Popular Name: (2S,4S)-N-cyclopentyl-2-methyl-tetrahydropyran-4-amine (2S,4S)-N-cyclopentyl-2-methyl-t…

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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) 2.23 4.93 -36.8 2 2 1 26 184.303 2 ↓

Analogs

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Popular Name: (2S,4R)-N-cyclopentyl-2-isopropyl-tetrahydropyran-4-amine (2S,4R)-N-cyclopentyl-2-isopropy…

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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) 2.98 6.23 -37.28 2 2 1 26 212.357 3 ↓

Analogs

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Popular Name: (2R,4R)-N-cyclopentyl-2-isopropyl-tetrahydropyran-4-amine (2R,4R)-N-cyclopentyl-2-isopropy…

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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) 2.98 6.54 -36.43 2 2 1 26 212.357 3 ↓

Analogs

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Popular Name: (2S,4S)-N-cyclopentyl-2-isopropyl-tetrahydropyran-4-amine (2S,4S)-N-cyclopentyl-2-isopropy…

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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) 2.98 6.47 -36.23 2 2 1 26 212.357 3 ↓

Analogs

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Popular Name: (2R,4S)-N-cyclopentyl-2-isopropyl-tetrahydropyran-4-amine (2R,4S)-N-cyclopentyl-2-isopropy…

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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) 2.98 6.35 -37.22 2 2 1 26 212.357 3 ↓

Analogs

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Popular Name: (4R)-N-[(1R,2S)-2-methoxycyclopentyl]-2,2-dimethyl-tetrahydropyran-4-amine (4R)-N-[(1R,2S)-2-methoxycyclope…

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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) 2.15 4.79 -33.54 2 3 1 35 228.356 3 ↓
Hi High (pH 8-9.5) 2.15 3.78 -2.52 1 3 0 30 227.348 3 ↓

Analogs

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Popular Name: (4S)-N-[(1R,2S)-2-methoxycyclopentyl]-2,2-dimethyl-tetrahydropyran-4-amine (4S)-N-[(1R,2S)-2-methoxycyclope…

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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) 2.15 4.79 -33.54 2 3 1 35 228.356 3 ↓
Hi High (pH 8-9.5) 2.15 3.63 -2.89 1 3 0 30 227.348 3 ↓

Analogs

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Popular Name: (4R)-N-[(1S,2S)-2-methoxycyclopentyl]-2,2-dimethyl-tetrahydropyran-4-amine (4R)-N-[(1S,2S)-2-methoxycyclope…

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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) 2.15 4.25 -37.89 2 3 1 35 228.356 3 ↓
Hi High (pH 8-9.5) 2.15 3.15 -2.64 1 3 0 30 227.348 3 ↓

Analogs

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Popular Name: (4S)-N-[(1S,2S)-2-methoxycyclopentyl]-2,2-dimethyl-tetrahydropyran-4-amine (4S)-N-[(1S,2S)-2-methoxycyclope…

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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) 2.15 4.26 -38.13 2 3 1 35 228.356 3 ↓
Hi High (pH 8-9.5) 2.15 3.3 -3.07 1 3 0 30 227.348 3 ↓

Analogs

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Popular Name: (2R,4R)-2-ethyl-N-[(1R,2S)-2-methoxycyclopentyl]tetrahydropyran-4-amine (2R,4R)-2-ethyl-N-[(1R,2S)-2-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) 2.20 5.21 -33.45 2 3 1 35 228.356 4 ↓
Hi High (pH 8-9.5) 2.20 4.22 -2.39 1 3 0 30 227.348 4 ↓

Analogs

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Popular Name: (2S,4R)-2-ethyl-N-[(1R,2S)-2-methoxycyclopentyl]tetrahydropyran-4-amine (2S,4R)-2-ethyl-N-[(1R,2S)-2-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) 2.20 5.4 -32.79 2 3 1 35 228.356 4 ↓
Hi High (pH 8-9.5) 2.20 4.47 -2.2 1 3 0 30 227.348 4 ↓

Analogs

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Popular Name: (2R,4S)-2-ethyl-N-[(1R,2S)-2-methoxycyclopentyl]tetrahydropyran-4-amine (2R,4S)-2-ethyl-N-[(1R,2S)-2-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) 2.20 5.43 -32.73 2 3 1 35 228.356 4 ↓
Hi High (pH 8-9.5) 2.20 4.53 -2.23 1 3 0 30 227.348 4 ↓

Analogs

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Popular Name: (2S,4S)-2-ethyl-N-[(1R,2S)-2-methoxycyclopentyl]tetrahydropyran-4-amine (2S,4S)-2-ethyl-N-[(1R,2S)-2-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) 2.20 5.23 -33.51 2 3 1 35 228.356 4 ↓
Hi High (pH 8-9.5) 2.20 4.07 -2.66 1 3 0 30 227.348 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,4R)-N-[(1R,2S)-2-methoxycyclopentyl]-2-methyl-tetrahydropyran-4-amine (2R,4R)-N-[(1R,2S)-2-methoxycycl…

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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 4.39 -33.3 2 3 1 35 214.329 3 ↓
Hi High (pH 8-9.5) 1.70 3.39 -2.53 1 3 0 30 213.321 3 ↓

Analogs

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Popular Name: (2S,4R)-N-[(1R,2S)-2-methoxycyclopentyl]-2-methyl-tetrahydropyran-4-amine (2S,4R)-N-[(1R,2S)-2-methoxycycl…

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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 4.13 -33.06 2 3 1 35 214.329 3 ↓
Hi High (pH 8-9.5) 1.70 3.13 -2.46 1 3 0 30 213.321 3 ↓

Analogs

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Popular Name: (2R,4S)-N-[(1R,2S)-2-methoxycyclopentyl]-2-methyl-tetrahydropyran-4-amine (2R,4S)-N-[(1R,2S)-2-methoxycycl…

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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 4.14 -33.05 2 3 1 35 214.329 3 ↓
Hi High (pH 8-9.5) 1.70 2.98 -2.75 1 3 0 30 213.321 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,4S)-N-[(1R,2S)-2-methoxycyclopentyl]-2-methyl-tetrahydropyran-4-amine (2S,4S)-N-[(1R,2S)-2-methoxycycl…

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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 4.41 -33.26 2 3 1 35 214.329 3 ↓
Hi High (pH 8-9.5) 1.70 3.25 -2.85 1 3 0 30 213.321 3 ↓

Analogs

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Popular Name: (1S,2R)-2-[[(4R)-2,2-dimethyltetrahydropyran-4-yl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(4R)-2,2-dimethyltet…

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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) 2.33 5.67 -40.76 2 3 1 50 223.34 2 ↓
Hi High (pH 8-9.5) 2.33 4.67 -7.06 1 3 0 45 222.332 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(4S)-2,2-dimethyltetrahydropyran-4-yl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(4S)-2,2-dimethyltet…

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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) 2.33 5.68 -40.82 2 3 1 50 223.34 2 ↓
Hi High (pH 8-9.5) 2.33 4.54 -6.91 1 3 0 45 222.332 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(4R)-2,2-dimethyltetrahydropyran-4-yl]amino]cyclopentanecarbonitrile (1S,2S)-2-[[(4R)-2,2-dimethyltet…

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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) 2.33 5.47 -48.78 2 3 1 50 223.34 2 ↓
Hi High (pH 8-9.5) 2.33 4.34 -6.41 1 3 0 45 222.332 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(4S)-2,2-dimethyltetrahydropyran-4-yl]amino]cyclopentanecarbonitrile (1S,2S)-2-[[(4S)-2,2-dimethyltet…

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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) 2.33 5.48 -48.92 2 3 1 50 223.34 2 ↓
Hi High (pH 8-9.5) 2.33 4.48 -7.27 1 3 0 45 222.332 2 ↓

Analogs

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Popular Name: (1S,2R)-2-[[(2R,4R)-2-ethyltetrahydropyran-4-yl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(2R,4R)-2-ethyltetra…

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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) 2.39 6.11 -40.56 2 3 1 50 223.34 3 ↓
Hi High (pH 8-9.5) 2.39 5.13 -6.78 1 3 0 45 222.332 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(2S,4R)-2-ethyltetrahydropyran-4-yl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(2S,4R)-2-ethyltetra…

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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) 2.39 6.28 -39.98 2 3 1 50 223.34 3 ↓
Hi High (pH 8-9.5) 2.39 5.37 -6.77 1 3 0 45 222.332 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(2R,4S)-2-ethyltetrahydropyran-4-yl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(2R,4S)-2-ethyltetra…

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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) 2.39 6.31 -40.29 2 3 1 50 223.34 3 ↓
Hi High (pH 8-9.5) 2.39 5.43 -6.17 1 3 0 45 222.332 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(2S,4S)-2-ethyltetrahydropyran-4-yl]amino]cyclopentanecarbonitrile (1S,2R)-2-[[(2S,4S)-2-ethyltetra…

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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) 2.39 6.12 -40.81 2 3 1 50 223.34 3 ↓
Hi High (pH 8-9.5) 2.39 4.98 -6.64 1 3 0 45 222.332 3 ↓

Parameters Provided:

ring.id = 156173
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 = 156173 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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