| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 21st, 2009 | 19 | Yes |
Popular Name: 2-BLAHylethanol 2-BLAHylethanol
| 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) | 2.75 | 3.98 | -7.2 | 2 | 2 | 0 | 32 | 251.329 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.75 | 5.26 | -40.68 | 3 | 2 | 1 | 37 | 252.337 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104302-1-O | Glutamate NMDA Receptor (cluster #1 Of 7), Other | Other | 260 | 0.49 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104302 | Z104302 | Glutamate NMDA Receptor | 260 | 0.49 | Binding ≤ 1μM |
| Z104302 | Z104302 | Glutamate NMDA Receptor | 260 | 0.49 | Binding ≤ 10μM |
