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Analogs

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Popular Name: (3S)-3-(methoxymethyl)-4-oxa-1-azaspiro[5.5]undecane (3S)-3-(methoxymethyl)-4-oxa-1-a…

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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) 1.89 3.29 -37.16 2 3 1 35 200.302 2 ↓
Hi High (pH 8-9.5) 1.89 2.1 -3.66 1 3 0 30 199.294 2 ↓

Analogs

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Popular Name: (3R)-3-(methoxymethyl)-4-oxa-1-azaspiro[5.5]undecane (3R)-3-(methoxymethyl)-4-oxa-1-a…

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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) 1.89 3.29 -37.12 2 3 1 35 200.302 2 ↓
Hi High (pH 8-9.5) 1.89 2.47 -3.52 1 3 0 30 199.294 2 ↓

Analogs

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Popular Name: (9S)-9-(methoxymethyl)-3-methyl-10-oxa-7-azaspiro[5.5]undecane (9S)-9-(methoxymethyl)-3-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) 1.66 3.9 -37.64 2 3 1 35 214.329 2 ↓
Hi High (pH 8-9.5) 1.66 3.06 -3.45 1 3 0 30 213.321 2 ↓

Analogs

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Popular Name: (9R)-9-(methoxymethyl)-3-methyl-10-oxa-7-azaspiro[5.5]undecane (9R)-9-(methoxymethyl)-3-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) 1.66 3.49 -40.21 2 3 1 35 214.329 2 ↓
Hi High (pH 8-9.5) 1.66 2.29 -3.73 1 3 0 30 213.321 2 ↓

Analogs

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Popular Name: (4R,6R,9S)-9-(methoxymethyl)-4-methyl-10-oxa-7-azaspiro[5.5]undecane (4R,6R,9S)-9-(methoxymethyl)-4-m…

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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) 1.90 3.9 -37.73 2 3 1 35 214.329 2 ↓
Hi High (pH 8-9.5) 1.90 3.07 -3.47 1 3 0 30 213.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,6R,9S)-9-(methoxymethyl)-4-methyl-10-oxa-7-azaspiro[5.5]undecane (4S,6R,9S)-9-(methoxymethyl)-4-m…

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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) 1.90 3.48 -40.07 2 3 1 35 214.329 2 ↓
Hi High (pH 8-9.5) 1.90 2.27 -3.63 1 3 0 30 213.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,6S,9S)-9-(methoxymethyl)-4-methyl-10-oxa-7-azaspiro[5.5]undecane (4R,6S,9S)-9-(methoxymethyl)-4-m…

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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) 1.90 3.48 -39.97 2 3 1 35 214.329 2 ↓
Hi High (pH 8-9.5) 1.90 2.27 -3.52 1 3 0 30 213.321 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,6S,9S)-9-(methoxymethyl)-4-methyl-10-oxa-7-azaspiro[5.5]undecane (4S,6S,9S)-9-(methoxymethyl)-4-m…

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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) 1.90 3.9 -37.64 2 3 1 35 214.329 2 ↓
Hi High (pH 8-9.5) 1.90 3.07 -3.41 1 3 0 30 213.321 2 ↓

Analogs

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Popular Name: (3S)-3-(ethoxymethyl)-4-oxa-1-azaspiro[5.5]undecane (3S)-3-(ethoxymethyl)-4-oxa-1-az…

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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) 2.27 4.26 -37.11 2 3 1 35 214.329 3 ↓
Hi High (pH 8-9.5) 2.27 3.06 -3.63 1 3 0 30 213.321 3 ↓

Analogs

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Popular Name: (3R)-3-(ethoxymethyl)-4-oxa-1-azaspiro[5.5]undecane (3R)-3-(ethoxymethyl)-4-oxa-1-az…

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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) 2.27 4.26 -37.11 2 3 1 35 214.329 3 ↓
Hi High (pH 8-9.5) 2.27 3.43 -3.41 1 3 0 30 213.321 3 ↓

Analogs

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Popular Name: (3S)-3-(ethoxymethyl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane (3S)-3-(ethoxymethyl)-9-methyl-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) 2.04 4.45 -40.19 2 3 1 35 228.356 3 ↓
Hi High (pH 8-9.5) 2.04 3.25 -3.73 1 3 0 30 227.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(ethoxymethyl)-9-methyl-4-oxa-1-azaspiro[5.5]undecane (3R)-3-(ethoxymethyl)-9-methyl-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) 2.04 4.45 -40.17 2 3 1 35 228.356 3 ↓
Hi High (pH 8-9.5) 2.04 3.25 -3.52 1 3 0 30 227.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R,8S)-3-(ethoxymethyl)-8-methyl-4-oxa-1-azaspiro[5.5]undecane (3S,6R,8S)-3-(ethoxymethyl)-8-me…

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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) 2.27 4.45 -40.05 2 3 1 35 228.356 3 ↓
Hi High (pH 8-9.5) 2.27 3.24 -3.69 1 3 0 30 227.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R,8S)-3-(ethoxymethyl)-8-methyl-4-oxa-1-azaspiro[5.5]undecane (3R,6R,8S)-3-(ethoxymethyl)-8-me…

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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) 2.27 4.45 -39.9 2 3 1 35 228.356 3 ↓
Hi High (pH 8-9.5) 2.27 3.24 -3.38 1 3 0 30 227.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S,8S)-3-(ethoxymethyl)-8-methyl-4-oxa-1-azaspiro[5.5]undecane (3S,6S,8S)-3-(ethoxymethyl)-8-me…

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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) 2.27 4.86 -37.59 2 3 1 35 228.356 3 ↓
Hi High (pH 8-9.5) 2.27 3.66 -3.49 1 3 0 30 227.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S,8S)-3-(ethoxymethyl)-8-methyl-4-oxa-1-azaspiro[5.5]undecane (3R,6S,8S)-3-(ethoxymethyl)-8-me…

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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) 2.27 4.86 -37.72 2 3 1 35 228.356 3 ↓
Hi High (pH 8-9.5) 2.27 4.03 -3.36 1 3 0 30 227.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(isopropoxymethyl)-4-oxa-1-azaspiro[5.5]undecane (3S)-3-(isopropoxymethyl)-4-oxa-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.63 5.01 -36.88 2 3 1 35 228.356 3 ↓
Hi High (pH 8-9.5) 2.63 3.81 -3.55 1 3 0 30 227.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(isopropoxymethyl)-4-oxa-1-azaspiro[5.5]undecane (3R)-3-(isopropoxymethyl)-4-oxa-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.63 5.01 -37.08 2 3 1 35 228.356 3 ↓
Hi High (pH 8-9.5) 2.63 4.19 -3.23 1 3 0 30 227.348 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(3-methyl-2-thienyl)-4-oxa-1-azaspiro[5.5]undecane (3S)-3-(3-methyl-2-thienyl)-4-ox…

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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) 3.78 6.69 -37.84 2 2 1 26 252.403 1 ↓
Hi High (pH 8-9.5) 3.78 5.5 -3.32 1 2 0 21 251.395 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(3-methyl-2-thienyl)-4-oxa-1-azaspiro[5.5]undecane (3R)-3-(3-methyl-2-thienyl)-4-ox…

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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) 3.78 6.72 -38.09 2 2 1 26 252.403 1 ↓
Hi High (pH 8-9.5) 3.78 5.9 -3.68 1 2 0 21 251.395 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-9-methyl-3-(3-methyl-2-thienyl)-4-oxa-1-azaspiro[5.5]undecane (3S)-9-methyl-3-(3-methyl-2-thie…

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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) 3.55 6.89 -40.69 2 2 1 26 266.43 1 ↓
Hi High (pH 8-9.5) 3.55 5.69 -3.25 1 2 0 21 265.422 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-9-methyl-3-(3-methyl-2-thienyl)-4-oxa-1-azaspiro[5.5]undecane (3R)-9-methyl-3-(3-methyl-2-thie…

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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) 3.55 6.91 -40.91 2 2 1 26 266.43 1 ↓
Hi High (pH 8-9.5) 3.55 5.71 -3.66 1 2 0 21 265.422 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6R,8S)-8-methyl-3-(3-methyl-2-thienyl)-4-oxa-1-azaspiro[5.5]undecane (3S,6R,8S)-8-methyl-3-(3-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) 3.78 6.88 -40.62 2 2 1 26 266.43 1 ↓
Hi High (pH 8-9.5) 3.78 5.69 -3.31 1 2 0 21 265.422 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6R,8S)-8-methyl-3-(3-methyl-2-thienyl)-4-oxa-1-azaspiro[5.5]undecane (3R,6R,8S)-8-methyl-3-(3-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) 3.78 6.91 -40.71 2 2 1 26 266.43 1 ↓
Hi High (pH 8-9.5) 3.78 5.7 -3.54 1 2 0 21 265.422 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S,6S,8S)-8-methyl-3-(3-methyl-2-thienyl)-4-oxa-1-azaspiro[5.5]undecane (3S,6S,8S)-8-methyl-3-(3-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) 3.78 7.29 -38.38 2 2 1 26 266.43 1 ↓
Hi High (pH 8-9.5) 3.78 6.11 -3.08 1 2 0 21 265.422 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R,6S,8S)-8-methyl-3-(3-methyl-2-thienyl)-4-oxa-1-azaspiro[5.5]undecane (3R,6S,8S)-8-methyl-3-(3-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) 3.78 7.32 -38.78 2 2 1 26 266.43 1 ↓
Hi High (pH 8-9.5) 3.78 6.5 -3.54 1 2 0 21 265.422 1 ↓

Analogs

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Popular Name: 3-[(3R)-4-oxa-1-azaspiro[5.5]undecan-3-yl]benzonitrile 3-[(3R)-4-oxa-1-azaspiro[5.5]und…

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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) 3.23 7.51 -43.53 2 3 1 50 257.357 1 ↓
Hi High (pH 8-9.5) 3.23 6.33 -4.54 1 3 0 45 256.349 1 ↓

Analogs

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Popular Name: 3-[(3S)-4-oxa-1-azaspiro[5.5]undecan-3-yl]benzonitrile 3-[(3S)-4-oxa-1-azaspiro[5.5]und…

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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) 3.23 7.49 -43.62 2 3 1 50 257.357 1 ↓
Hi High (pH 8-9.5) 3.23 6.67 -4.78 1 3 0 45 256.349 1 ↓

Analogs

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Popular Name: 3-[(9R)-3-methyl-10-oxa-7-azaspiro[5.5]undecan-9-yl]benzonitrile 3-[(9R)-3-methyl-10-oxa-7-azaspi…

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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) 3.00 7.72 -46.22 2 3 1 50 271.384 1 ↓

Analogs

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Popular Name: 3-[(9S)-3-methyl-10-oxa-7-azaspiro[5.5]undecan-9-yl]benzonitrile 3-[(9S)-3-methyl-10-oxa-7-azaspi…

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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) 3.00 8.1 -44.27 2 3 1 50 271.384 1 ↓

Analogs

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Popular Name: 3-[(4R,6R,9R)-4-methyl-10-oxa-7-azaspiro[5.5]undecan-9-yl]benzonitrile 3-[(4R,6R,9R)-4-methyl-10-oxa-7-…

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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) 3.24 8.13 -44.19 2 3 1 50 271.384 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4S,6R,9R)-4-methyl-10-oxa-7-azaspiro[5.5]undecan-9-yl]benzonitrile 3-[(4S,6R,9R)-4-methyl-10-oxa-7-…

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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) 3.24 7.71 -46.08 2 3 1 50 271.384 1 ↓

Analogs

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Popular Name: 3-[(4R,6S,9R)-4-methyl-10-oxa-7-azaspiro[5.5]undecan-9-yl]benzonitrile 3-[(4R,6S,9R)-4-methyl-10-oxa-7-…

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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) 3.24 7.71 -46.08 2 3 1 50 271.384 1 ↓

Analogs

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Popular Name: 3-[(4S,6S,9R)-4-methyl-10-oxa-7-azaspiro[5.5]undecan-9-yl]benzonitrile 3-[(4S,6S,9R)-4-methyl-10-oxa-7-…

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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) 3.24 8.13 -44.14 2 3 1 50 271.384 1 ↓

Analogs

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Popular Name: (9S)-9-(isopropoxymethyl)-3-methyl-10-oxa-7-azaspiro[5.5]undecane (9S)-9-(isopropoxymethyl)-3-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) 2.40 5.21 -40.21 2 3 1 35 242.383 3 ↓
Hi High (pH 8-9.5) 2.40 4 -3.4 1 3 0 30 241.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (9R)-9-(isopropoxymethyl)-3-methyl-10-oxa-7-azaspiro[5.5]undecane (9R)-9-(isopropoxymethyl)-3-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) 2.40 5.21 -40.04 2 3 1 35 242.383 3 ↓
Hi High (pH 8-9.5) 2.40 4 -3.55 1 3 0 30 241.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,6R,9S)-9-(isopropoxymethyl)-4-methyl-10-oxa-7-azaspiro[5.5]undecane (4R,6R,9S)-9-(isopropoxymethyl)-…

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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) 2.64 5.62 -37.55 2 3 1 35 242.383 3 ↓
Hi High (pH 8-9.5) 2.64 4.79 -3.28 1 3 0 30 241.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,6R,9S)-9-(isopropoxymethyl)-4-methyl-10-oxa-7-azaspiro[5.5]undecane (4S,6R,9S)-9-(isopropoxymethyl)-…

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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) 2.64 5.2 -39.85 2 3 1 35 242.383 3 ↓
Hi High (pH 8-9.5) 2.64 3.99 -3.44 1 3 0 30 241.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,6S,9S)-9-(isopropoxymethyl)-4-methyl-10-oxa-7-azaspiro[5.5]undecane (4R,6S,9S)-9-(isopropoxymethyl)-…

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Activity (Go SEA)

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) 2.64 5.2 -39.78 2 3 1 35 242.383 3 ↓
Hi High (pH 8-9.5) 2.64 3.99 -3.38 1 3 0 30 241.375 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,6S,9S)-9-(isopropoxymethyl)-4-methyl-10-oxa-7-azaspiro[5.5]undecane (4S,6S,9S)-9-(isopropoxymethyl)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 2.64 5.62 -37.4 2 3 1 35 242.383 3 ↓
Hi High (pH 8-9.5) 2.64 4.79 -3.23 1 3 0 30 241.375 3 ↓

Parameters Provided:

ring.id = 242992
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 = 242992 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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