| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2009 | 21 | Yes |
Popular Name: (2R)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]pentanedioic (2R)-2-[[(2S)-1-(2-aminoacetyl)p…
| 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) | -4.39 | 1.13 | -133.82 | 4 | 9 | -1 | 157 | 300.291 | 7 | ↓ |
| Hi High (pH 8-9.5) | -4.39 | 0.75 | -131.45 | 3 | 9 | -2 | 156 | 299.283 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104302-3-O | Glutamate NMDA Receptor (cluster #3 Of 7), Other | Other | 1 | 0.60 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104302 | Z104302 | Glutamate NMDA Receptor | 1 | 0.60 | Binding ≤ 1μM |
| Z104302 | Z104302 | Glutamate NMDA Receptor | 1 | 0.60 | Binding ≤ 10μM |
