UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (10R)-7-oxaspiro[5.5]undecan-10-ol (10R)-7-oxaspiro[5.5]undecan-10-ol

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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) 2.03 2.27 -3.46 1 2 0 29 170.252 0 ↓

Analogs

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Popular Name: (10S)-7-oxaspiro[5.5]undecan-10-ol (10S)-7-oxaspiro[5.5]undecan-10-ol

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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) 2.03 2.27 -3.46 1 2 0 29 170.252 0 ↓

Analogs

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Popular Name: (10R)-3-ethyl-7-oxaspiro[5.5]undecan-10-ol (10R)-3-ethyl-7-oxaspiro[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) 2.49 3.15 -3.42 1 2 0 29 198.306 1 ↓

Analogs

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Popular Name: (10S)-3-ethyl-7-oxaspiro[5.5]undecan-10-ol (10S)-3-ethyl-7-oxaspiro[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) 2.49 3.52 -3.31 1 2 0 29 198.306 1 ↓

Analogs

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Popular Name: (10R)-3-methyl-7-oxaspiro[5.5]undecan-10-ol (10R)-3-methyl-7-oxaspiro[5.5]un…

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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 2.5 -3.49 1 2 0 29 184.279 0 ↓

Analogs

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Popular Name: (10S)-3-methyl-7-oxaspiro[5.5]undecan-10-ol (10S)-3-methyl-7-oxaspiro[5.5]un…

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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 2.5 -3.49 1 2 0 29 184.279 0 ↓

Analogs

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Popular Name: (10R)-3-tert-butyl-7-oxaspiro[5.5]undecan-10-ol (10R)-3-tert-butyl-7-oxaspiro[5.…

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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) 3.13 3.9 -3.34 1 2 0 29 226.36 1 ↓

Analogs

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Popular Name: (10S)-3-tert-butyl-7-oxaspiro[5.5]undecan-10-ol (10S)-3-tert-butyl-7-oxaspiro[5.…

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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) 3.13 3.9 -3.34 1 2 0 29 226.36 1 ↓

Analogs

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Popular Name: (10R)-3-propyl-7-oxaspiro[5.5]undecan-10-ol (10R)-3-propyl-7-oxaspiro[5.5]un…

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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) 3.05 4.28 -3.23 1 2 0 29 212.333 2 ↓

Analogs

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Popular Name: (10S)-3-propyl-7-oxaspiro[5.5]undecan-10-ol (10S)-3-propyl-7-oxaspiro[5.5]un…

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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) 3.05 4.28 -3.27 1 2 0 29 212.333 2 ↓

Analogs

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Popular Name: (5R,6R,10R)-5-methyl-7-oxaspiro[5.5]undecan-10-ol (5R,6R,10R)-5-methyl-7-oxaspiro[…

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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 2.89 -2.97 1 2 0 29 184.279 0 ↓

Analogs

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Popular Name: (5S,6R,10R)-5-methyl-7-oxaspiro[5.5]undecan-10-ol (5S,6R,10R)-5-methyl-7-oxaspiro[…

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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 2.5 -3.22 1 2 0 29 184.279 0 ↓

Analogs

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Popular Name: (5R,6S,10R)-5-methyl-7-oxaspiro[5.5]undecan-10-ol (5R,6S,10R)-5-methyl-7-oxaspiro[…

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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 2.52 -3.53 1 2 0 29 184.279 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6S,10R)-5-methyl-7-oxaspiro[5.5]undecan-10-ol (5S,6S,10R)-5-methyl-7-oxaspiro[…

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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 2.81 -3.18 1 2 0 29 184.279 0 ↓

Analogs

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Popular Name: (2R,6S,10R)-2,4,4-trimethyl-7-oxaspiro[5.5]undecan-10-ol (2R,6S,10R)-2,4,4-trimethyl-7-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) 2.69 3.93 -2.78 1 2 0 29 212.333 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S,10R)-2,4,4-trimethyl-7-oxaspiro[5.5]undecan-10-ol (2S,6S,10R)-2,4,4-trimethyl-7-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) 2.69 3.53 -3.36 1 2 0 29 212.333 0 ↓

Analogs

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Popular Name: (2R,6R,10R)-2,4,4-trimethyl-7-oxaspiro[5.5]undecan-10-ol (2R,6R,10R)-2,4,4-trimethyl-7-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) 2.69 3.56 -3.38 1 2 0 29 212.333 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R,10R)-2,4,4-trimethyl-7-oxaspiro[5.5]undecan-10-ol (2S,6R,10R)-2,4,4-trimethyl-7-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) 2.69 4.19 -2.85 1 2 0 29 212.333 0 ↓

Analogs

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Popular Name: (4R,6R,10R)-4-methyl-7-oxaspiro[5.5]undecan-10-ol (4R,6R,10R)-4-methyl-7-oxaspiro[…

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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 2.87 -3.42 1 2 0 29 184.279 0 ↓

Analogs

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Popular Name: (4S,6R,10R)-4-methyl-7-oxaspiro[5.5]undecan-10-ol (4S,6R,10R)-4-methyl-7-oxaspiro[…

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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 2.48 -3.57 1 2 0 29 184.279 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,6S,10R)-4-methyl-7-oxaspiro[5.5]undecan-10-ol (4R,6S,10R)-4-methyl-7-oxaspiro[…

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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 2.49 -3.47 1 2 0 29 184.279 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,6S,10R)-4-methyl-7-oxaspiro[5.5]undecan-10-ol (4S,6S,10R)-4-methyl-7-oxaspiro[…

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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 2.87 -3.3 1 2 0 29 184.279 0 ↓

Analogs

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Popular Name: (10R)-3-isopropyl-7-oxaspiro[5.5]undecan-10-ol (10R)-3-isopropyl-7-oxaspiro[5.5…

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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 3.61 -3.41 1 2 0 29 212.333 1 ↓

Analogs

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Popular Name: (10S)-3-isopropyl-7-oxaspiro[5.5]undecan-10-ol (10S)-3-isopropyl-7-oxaspiro[5.5…

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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 3.98 -3.23 1 2 0 29 212.333 1 ↓

Analogs

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Popular Name: (10R)-3-tert-butyl-7-oxaspiro[5.5]undecan-10-amine (10R)-3-tert-butyl-7-oxaspiro[5.…

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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 4.46 -46.95 3 2 1 37 226.384 1 ↓

Analogs

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Popular Name: (10S)-3-tert-butyl-7-oxaspiro[5.5]undecan-10-amine (10S)-3-tert-butyl-7-oxaspiro[5.…

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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 4.46 -46.95 3 2 1 37 226.384 1 ↓

Analogs

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Popular Name: (10R)-3-methyl-7-oxaspiro[5.5]undecan-10-amine (10R)-3-methyl-7-oxaspiro[5.5]un…

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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 3.06 -45.78 3 2 1 37 184.303 0 ↓

Analogs

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Popular Name: (10S)-3-methyl-7-oxaspiro[5.5]undecan-10-amine (10S)-3-methyl-7-oxaspiro[5.5]un…

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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 3.06 -45.79 3 2 1 37 184.303 0 ↓

Analogs

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Popular Name: (10R)-3-propyl-7-oxaspiro[5.5]undecan-10-amine (10R)-3-propyl-7-oxaspiro[5.5]un…

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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) 2.56 4.85 -44.22 3 2 1 37 212.357 2 ↓

Analogs

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Popular Name: (10S)-3-propyl-7-oxaspiro[5.5]undecan-10-amine (10S)-3-propyl-7-oxaspiro[5.5]un…

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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) 2.56 4.85 -44.29 3 2 1 37 212.357 2 ↓

Analogs

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Popular Name: (10R)-3-ethyl-7-oxaspiro[5.5]undecan-10-amine (10R)-3-ethyl-7-oxaspiro[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) 2.00 3.71 -45.96 3 2 1 37 198.33 1 ↓

Analogs

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Popular Name: (10S)-3-ethyl-7-oxaspiro[5.5]undecan-10-amine (10S)-3-ethyl-7-oxaspiro[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) 2.00 4.1 -44.3 3 2 1 37 198.33 1 ↓

Analogs

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Popular Name: (10R)-3-isopropyl-7-oxaspiro[5.5]undecan-10-amine (10R)-3-isopropyl-7-oxaspiro[5.5…

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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) 2.81 4.18 -46.29 3 2 1 37 212.357 1 ↓

Analogs

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Popular Name: (10S)-3-isopropyl-7-oxaspiro[5.5]undecan-10-amine (10S)-3-isopropyl-7-oxaspiro[5.5…

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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) 2.81 4.55 -44.21 3 2 1 37 212.357 1 ↓

Analogs

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Popular Name: 1-oxaspiro[5.5]undecan-4-amine 1-oxaspiro[5.5]undecan-4-amine

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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) 1.54 2.85 -44.35 3 2 1 37 170.276 0 ↓

Analogs

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Popular Name: 1-oxaspiro[5.5]undecan-4-amine 1-oxaspiro[5.5]undecan-4-amine

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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) 1.54 2.85 -44.36 3 2 1 37 170.276 0 ↓

Analogs

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Popular Name: (2R,6S,10R)-2,4,4-trimethyl-7-oxaspiro[5.5]undecan-10-amine (2R,6S,10R)-2,4,4-trimethyl-7-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) 2.20 4.5 -44.51 3 2 1 37 212.357 0 ↓

Analogs

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Popular Name: (2S,6S,10R)-2,4,4-trimethyl-7-oxaspiro[5.5]undecan-10-amine (2S,6S,10R)-2,4,4-trimethyl-7-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) 2.20 4.1 -46.32 3 2 1 37 212.357 0 ↓

Analogs

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Popular Name: (2R,6R,10R)-2,4,4-trimethyl-7-oxaspiro[5.5]undecan-10-amine (2R,6R,10R)-2,4,4-trimethyl-7-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) 2.20 4.13 -46.39 3 2 1 37 212.357 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6R,10R)-2,4,4-trimethyl-7-oxaspiro[5.5]undecan-10-amine (2S,6R,10R)-2,4,4-trimethyl-7-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) 2.20 4.77 -44.35 3 2 1 37 212.357 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,6R,10R)-4-methyl-7-oxaspiro[5.5]undecan-10-amine (4R,6R,10R)-4-methyl-7-oxaspiro[…

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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) 1.54 3.45 -44.38 3 2 1 37 184.303 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,6R,10R)-4-methyl-7-oxaspiro[5.5]undecan-10-amine (4S,6R,10R)-4-methyl-7-oxaspiro[…

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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) 1.54 3.05 -45.9 3 2 1 37 184.303 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4R,6S,10R)-4-methyl-7-oxaspiro[5.5]undecan-10-amine (4R,6S,10R)-4-methyl-7-oxaspiro[…

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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) 1.54 3.06 -45.92 3 2 1 37 184.303 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4S,6S,10R)-4-methyl-7-oxaspiro[5.5]undecan-10-amine (4S,6S,10R)-4-methyl-7-oxaspiro[…

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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) 1.54 3.45 -44.48 3 2 1 37 184.303 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6R,10R)-5-methyl-7-oxaspiro[5.5]undecan-10-amine (5R,6R,10R)-5-methyl-7-oxaspiro[…

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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) 1.78 3.45 -45.01 3 2 1 37 184.303 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6R,10R)-5-methyl-7-oxaspiro[5.5]undecan-10-amine (5S,6R,10R)-5-methyl-7-oxaspiro[…

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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) 1.78 3.06 -46.6 3 2 1 37 184.303 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,6S,10R)-5-methyl-7-oxaspiro[5.5]undecan-10-amine (5R,6S,10R)-5-methyl-7-oxaspiro[…

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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) 1.78 3.09 -44.81 3 2 1 37 184.303 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,6S,10R)-5-methyl-7-oxaspiro[5.5]undecan-10-amine (5S,6S,10R)-5-methyl-7-oxaspiro[…

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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) 1.78 3.38 -44.7 3 2 1 37 184.303 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (10R)-N,3-dimethyl-7-oxaspiro[5.5]undecan-10-amine (10R)-N,3-dimethyl-7-oxaspiro[5.…

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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) 2.22 5.14 -39.19 2 2 1 26 198.33 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (10S)-N,3-dimethyl-7-oxaspiro[5.5]undecan-10-amine (10S)-N,3-dimethyl-7-oxaspiro[5.…

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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) 2.22 5.14 -39.19 2 2 1 26 198.33 1 ↓

Parameters Provided:

ring.id = 480669
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 = 480669 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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