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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3R)-3-piperidyl]-3,5-dihydro-2H-1,4-benzoxazepine 4-[(3R)-3-piperidyl]-3,5-dihydro…

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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) 1.44 4.82 -32.56 2 3 1 26 233.335 1 ↓
Hi High (pH 8-9.5) 1.44 4.03 -43.69 2 3 1 29 233.335 1 ↓
Hi High (pH 8-9.5) 1.44 2.64 -3.72 1 3 0 24 232.327 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3S,6R)-6-methyl-3-piperidyl]-3,5-dihydro-2H-1,4-benzoxazepine 4-[(3S,6R)-6-methyl-3-piperidyl]…

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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) 2.12 5.33 -33.98 2 3 1 26 247.362 1 ↓
Hi High (pH 8-9.5) 2.12 4.39 -41.51 2 3 1 29 247.362 1 ↓
Hi High (pH 8-9.5) 2.12 3.14 -3.71 1 3 0 24 246.354 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3S,6S)-6-methyl-3-piperidyl]-3,5-dihydro-2H-1,4-benzoxazepine 4-[(3S,6S)-6-methyl-3-piperidyl]…

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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) 2.12 5.58 -33.95 2 3 1 26 247.362 1 ↓
Hi High (pH 8-9.5) 2.12 4.73 -41.71 2 3 1 29 247.362 1 ↓
Hi High (pH 8-9.5) 2.12 3.46 -3.47 1 3 0 24 246.354 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3R,6R)-6-methyl-3-piperidyl]-3,5-dihydro-2H-1,4-benzoxazepine 4-[(3R,6R)-6-methyl-3-piperidyl]…

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) 2.12 5.59 -32.95 2 3 1 26 247.362 1 ↓
Hi High (pH 8-9.5) 2.12 3.41 -3.52 1 3 0 24 246.354 1 ↓
Hi High (pH 8-9.5) 2.12 4.68 -40.72 2 3 1 29 247.362 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3R,6S)-6-methyl-3-piperidyl]-3,5-dihydro-2H-1,4-benzoxazepine 4-[(3R,6S)-6-methyl-3-piperidyl]…

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) 2.12 5.34 -32.82 2 3 1 26 247.362 1 ↓
Hi High (pH 8-9.5) 2.12 3.13 -3.43 1 3 0 24 246.354 1 ↓
Hi High (pH 8-9.5) 2.12 4.38 -41.47 2 3 1 29 247.362 1 ↓