| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 23 | Yes |
Popular Name: 2-(4-benzyl-1-piperidyl)-1-(4-hydroxyphenyl)ethanone 2-(4-benzyl-1-piperidyl)-1-(4-hy…
| 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) | 3.59 | 9.76 | -46.53 | 2 | 3 | 1 | 42 | 310.417 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.59 | 8.34 | -44.05 | 0 | 3 | -1 | 43 | 308.401 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.59 | 7.54 | -12.46 | 1 | 3 | 0 | 41 | 309.409 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.59 | 10.56 | -63.95 | 1 | 3 | 0 | 45 | 309.409 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NMDE2-1-E | Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 141 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NMDE2_RAT | Q00960 | Glutamate [NMDA] Receptor Subunit Epsilon 2, Rat | 141 | 0.42 | Binding ≤ 1μM |
| NMDE2_RAT | Q00960 | Glutamate [NMDA] Receptor Subunit Epsilon 2, Rat | 141 | 0.42 | Binding ≤ 10μM |
