UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: methyl 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) 1.33 2.05 -14 1 7 0 85 317.345 4 ↓

Analogs

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Popular Name: methyl 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) 1.33 2.06 -14.01 1 7 0 85 317.345 4 ↓

Analogs

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Popular Name: 5-fluoro-2-[(3R)-3-piperidyl]-1,3-benzoxazole 5-fluoro-2-[(3R)-3-piperidyl]-1,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.92 3.07 -46.1 2 3 1 43 221.255 1 ↓

Analogs

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Popular Name: 5-fluoro-2-[(3S)-3-piperidyl]-1,3-benzoxazole 5-fluoro-2-[(3S)-3-piperidyl]-1,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.92 3.07 -46.12 2 3 1 43 221.255 1 ↓

Analogs

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Popular Name: 5-Bromo-2-piperidin-3-yl-benzooxazole 5-Bromo-2-piperidin-3-yl-benzoox…

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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 3.61 -45.34 2 3 1 43 282.161 1 ↓

Analogs

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Popular Name: 5-Bromo-2-piperidin-3-yl-benzooxazole 5-Bromo-2-piperidin-3-yl-benzoox…

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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 3.61 -45.36 2 3 1 43 282.161 1 ↓

Analogs

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Popular Name: 7-bromo-4,6-dimethyl-2-[(3S)-3-piperidyl]-1,3-benzoxazole 7-bromo-4,6-dimethyl-2-[(3S)-3-p…

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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) 3.31 4.82 -44.31 2 3 1 43 310.215 1 ↓

Analogs

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Popular Name: 2-[(3S)-3-methyl-3-piperidyl]-1,3-benzoxazole 2-[(3S)-3-methyl-3-piperidyl]-1,…

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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 3.46 -38.62 2 3 1 43 217.292 1 ↓

Analogs

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Popular Name: 2-[(3R)-3-methyl-3-piperidyl]-1,3-benzoxazole 2-[(3R)-3-methyl-3-piperidyl]-1,…

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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 5.15 -36.63 2 3 1 43 217.292 1 ↓

Analogs

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Popular Name: 2-[(3S)-3-ethyl-3-piperidyl]-1,3-benzoxazole 2-[(3S)-3-ethyl-3-piperidyl]-1,3…

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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) 2.72 3.93 -39.52 2 3 1 43 231.319 2 ↓

Analogs

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Popular Name: 2-[(3R)-3-ethyl-3-piperidyl]-1,3-benzoxazole 2-[(3R)-3-ethyl-3-piperidyl]-1,3…

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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) 2.72 5.7 -37.1 2 3 1 43 231.319 2 ↓

Analogs

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Popular Name: 2-[(3S)-3-propyl-3-piperidyl]-1,3-benzoxazole 2-[(3S)-3-propyl-3-piperidyl]-1,…

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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) 3.28 4.7 -39.81 2 3 1 43 245.346 3 ↓

Analogs

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Popular Name: 2-[(3R)-3-propyl-3-piperidyl]-1,3-benzoxazole 2-[(3R)-3-propyl-3-piperidyl]-1,…

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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) 3.28 6.46 -37.32 2 3 1 43 245.346 3 ↓

Analogs

34939398
34939398
34939399
34939399

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Popular Name: 5-chloro-2-[(3S)-3-methyl-3-piperidyl]-1,3-benzoxazole 5-chloro-2-[(3S)-3-methyl-3-pipe…

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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) 3.06 3.97 -39.38 2 3 1 43 251.737 1 ↓

Analogs

34939398
34939398
34939399
34939399

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Popular Name: 5-chloro-2-[(3R)-3-methyl-3-piperidyl]-1,3-benzoxazole 5-chloro-2-[(3R)-3-methyl-3-pipe…

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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) 3.06 5.66 -36.85 2 3 1 43 251.737 1 ↓

Analogs

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Popular Name: 5-chloro-2-[(3S)-3-ethyl-3-piperidyl]-1,3-benzoxazole 5-chloro-2-[(3S)-3-ethyl-3-piper…

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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) 3.38 4.44 -40.31 2 3 1 43 265.764 2 ↓

Analogs

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Popular Name: 5-chloro-2-[(3R)-3-ethyl-3-piperidyl]-1,3-benzoxazole 5-chloro-2-[(3R)-3-ethyl-3-piper…

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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) 3.38 6.21 -37.48 2 3 1 43 265.764 2 ↓

Analogs

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Popular Name: 5-chloro-2-[(3S)-3-propyl-3-piperidyl]-1,3-benzoxazole 5-chloro-2-[(3S)-3-propyl-3-pipe…

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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) 3.94 5.21 -40.7 2 3 1 43 279.791 3 ↓

Analogs

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Popular Name: 5-chloro-2-[(3R)-3-propyl-3-piperidyl]-1,3-benzoxazole 5-chloro-2-[(3R)-3-propyl-3-pipe…

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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) 3.94 6.97 -37.81 2 3 1 43 279.791 3 ↓

Analogs

34924866
34924866
34924867
34924867

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Popular Name: 6-methyl-2-[(3R)-3-methyl-3-piperidyl]-1,3-benzoxazole 6-methyl-2-[(3R)-3-methyl-3-pipe…

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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) 2.83 4.14 -38.41 2 3 1 43 231.319 1 ↓

Analogs

34924866
34924866
34924867
34924867

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Popular Name: 6-methyl-2-[(3S)-3-methyl-3-piperidyl]-1,3-benzoxazole 6-methyl-2-[(3S)-3-methyl-3-pipe…

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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) 2.83 5.83 -36.56 2 3 1 43 231.319 1 ↓

Analogs

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Popular Name: 2-[(3S)-3-ethyl-3-piperidyl]-6-methyl-1,3-benzoxazole 2-[(3S)-3-ethyl-3-piperidyl]-6-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) 3.15 4.61 -39.35 2 3 1 43 245.346 2 ↓

Analogs

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Popular Name: 2-[(3R)-3-ethyl-3-piperidyl]-6-methyl-1,3-benzoxazole 2-[(3R)-3-ethyl-3-piperidyl]-6-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) 3.15 6.38 -37.07 2 3 1 43 245.346 2 ↓

Analogs

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Popular Name: 6-methyl-2-[(3S)-3-propyl-3-piperidyl]-1,3-benzoxazole 6-methyl-2-[(3S)-3-propyl-3-pipe…

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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) 3.71 5.37 -39.61 2 3 1 43 259.373 3 ↓

Analogs

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Popular Name: 6-methyl-2-[(3R)-3-propyl-3-piperidyl]-1,3-benzoxazole 6-methyl-2-[(3R)-3-propyl-3-pipe…

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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) 3.71 7.14 -37.31 2 3 1 43 259.373 3 ↓

Analogs

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Popular Name: 5-tert-butyl-2-[(3S)-3-methyl-3-piperidyl]-1,3-benzoxazole 5-tert-butyl-2-[(3S)-3-methyl-3-…

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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) 4.08 5.95 -41.2 2 3 1 43 273.4 2 ↓

Analogs

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Popular Name: 5-tert-butyl-2-[(3R)-3-methyl-3-piperidyl]-1,3-benzoxazole 5-tert-butyl-2-[(3R)-3-methyl-3-…

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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) 4.08 5.95 -41.18 2 3 1 43 273.4 2 ↓

Analogs

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Popular Name: 5-tert-butyl-2-[(3S)-3-ethyl-3-piperidyl]-1,3-benzoxazole 5-tert-butyl-2-[(3S)-3-ethyl-3-p…

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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) 4.41 7.32 -41.31 2 3 1 43 287.427 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-tert-butyl-2-[(3R)-3-ethyl-3-piperidyl]-1,3-benzoxazole 5-tert-butyl-2-[(3R)-3-ethyl-3-p…

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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) 4.41 7.31 -41.23 2 3 1 43 287.427 3 ↓

Analogs

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Popular Name: 5-methyl-2-[(3R)-3-methyl-3-piperidyl]-1,3-benzoxazole 5-methyl-2-[(3R)-3-methyl-3-pipe…

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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) 2.83 4.3 -41.58 2 3 1 43 231.319 1 ↓

Analogs

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Popular Name: 5-methyl-2-[(3S)-3-methyl-3-piperidyl]-1,3-benzoxazole 5-methyl-2-[(3S)-3-methyl-3-pipe…

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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) 2.83 4.3 -41.6 2 3 1 43 231.319 1 ↓

Analogs

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Popular Name: 2-[(3S)-3-ethyl-3-piperidyl]-5-methyl-1,3-benzoxazole 2-[(3S)-3-ethyl-3-piperidyl]-5-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) 3.15 5.66 -41.62 2 3 1 43 245.346 2 ↓

Analogs

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Popular Name: 2-[(3R)-3-ethyl-3-piperidyl]-5-methyl-1,3-benzoxazole 2-[(3R)-3-ethyl-3-piperidyl]-5-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) 3.15 5.65 -41.63 2 3 1 43 245.346 2 ↓

Analogs

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Popular Name: 5-methyl-2-[(3S)-3-propyl-3-piperidyl]-1,3-benzoxazole 5-methyl-2-[(3S)-3-propyl-3-pipe…

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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) 3.71 6.42 -41.8 2 3 1 43 259.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-2-[(3R)-3-propyl-3-piperidyl]-1,3-benzoxazole 5-methyl-2-[(3R)-3-propyl-3-pipe…

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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) 3.71 6.41 -41.81 2 3 1 43 259.373 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-2-[(3R)-3-methyl-3-piperidyl]-1,3-benzoxazole 4-methyl-2-[(3R)-3-methyl-3-pipe…

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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) 2.80 4.27 -41.09 2 3 1 43 231.319 1 ↓

Analogs

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Popular Name: 4-methyl-2-[(3S)-3-methyl-3-piperidyl]-1,3-benzoxazole 4-methyl-2-[(3S)-3-methyl-3-pipe…

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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) 2.80 4.28 -41.08 2 3 1 43 231.319 1 ↓

Analogs

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Popular Name: 2-[(3S)-3-ethyl-3-piperidyl]-4-methyl-1,3-benzoxazole 2-[(3S)-3-ethyl-3-piperidyl]-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) 3.12 5.63 -41.18 2 3 1 43 245.346 2 ↓

Analogs

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Popular Name: 2-[(3R)-3-ethyl-3-piperidyl]-4-methyl-1,3-benzoxazole 2-[(3R)-3-ethyl-3-piperidyl]-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) 3.12 5.63 -41.16 2 3 1 43 245.346 2 ↓

Analogs

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Popular Name: 4-methyl-2-[(3S)-3-propyl-3-piperidyl]-1,3-benzoxazole 4-methyl-2-[(3S)-3-propyl-3-pipe…

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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) 3.68 6.4 -41.3 2 3 1 43 259.373 3 ↓

Analogs

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Popular Name: 4-methyl-2-[(3R)-3-propyl-3-piperidyl]-1,3-benzoxazole 4-methyl-2-[(3R)-3-propyl-3-pipe…

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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) 3.68 6.39 -41.33 2 3 1 43 259.373 3 ↓

Analogs

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Popular Name: (3S)-3-(1,3-benzoxazol-2-yl)-N-(5-methoxypentyl)piperidine-1-carboxamide (3S)-3-(1,3-benzoxazol-2-yl)-N-(…

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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) 3.60 5.36 -12.09 1 6 0 68 345.443 7 ↓

Analogs

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Popular Name: 4-[(3S)-3-(1,3-benzoxazol-2-yl)-1-piperidyl]-N-(methylcarbamoyl)butanamide 4-[(3S)-3-(1,3-benzoxazol-2-yl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.67 5.18 -57.38 3 7 1 89 345.423 5 ↓
Hi High (pH 8-9.5) 1.67 2.96 -23.44 2 7 0 87 344.415 5 ↓

Analogs

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Popular Name: 4-[(3R)-3-(1,3-benzoxazol-2-yl)-1-piperidyl]-N-(methylcarbamoyl)butanamide 4-[(3R)-3-(1,3-benzoxazol-2-yl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.67 5.19 -57.38 3 7 1 89 345.423 5 ↓
Hi High (pH 8-9.5) 1.67 2.96 -23.44 2 7 0 87 344.415 5 ↓

Analogs

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Popular Name: 1-[(3S)-3-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-[isopropyl(methyl)amino]ethanone 1-[(3S)-3-(1,3-benzoxazol-2-yl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.40 6.89 -42.35 1 5 1 51 316.425 4 ↓
Hi High (pH 8-9.5) 2.40 4.5 -13.45 0 5 0 50 315.417 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-[isopropyl(methyl)amino]ethanone 1-[(3R)-3-(1,3-benzoxazol-2-yl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.40 6.89 -42.41 1 5 1 51 316.425 4 ↓
Hi High (pH 8-9.5) 2.40 4.5 -13.46 0 5 0 50 315.417 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(1,3-benzoxazol-2-yl)-N-methoxy-piperidine-1-carboxamide (3S)-3-(1,3-benzoxazol-2-yl)-N-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) 1.98 4.12 -13.89 1 6 0 68 275.308 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(1,3-benzoxazol-2-yl)-N-methoxy-piperidine-1-carboxamide (3R)-3-(1,3-benzoxazol-2-yl)-N-m…

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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) 1.98 4.14 -17.01 1 6 0 68 275.308 2 ↓

Parameters Provided:

ring.id = 66103
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 = 66103 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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