| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 15th, 2010 | 14 | No |
Popular Name: PMPA(NMDAantagonist) PMPA(NMDAantagonist)
Find On: PubMed — Wikipedia — Google
CAS Number: 113919-36-1
| 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) | -3.50 | 1.43 | -97.26 | 3 | 7 | -1 | 124 | 223.145 | 3 | ↓ |
| Hi High (pH 8-9.5) | -3.50 | 0.13 | -109.36 | 2 | 7 | -2 | 120 | 222.137 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104302-3-O | Glutamate NMDA Receptor (cluster #3 Of 7), Other | Other | 65 | 0.72 | Binding ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 5200 | 0.53 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104302 | Z104302 | Glutamate NMDA Receptor | 320 | 0.65 | Binding ≤ 1μM |
| Z104302 | Z104302 | Glutamate NMDA Receptor | 320 | 0.65 | Binding ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 5200 | 0.53 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.