In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2005 | 23 | Yes |
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) | 5.24 | 12.3 | -25.65 | 3 | 3 | 1 | 41 | 304.417 | 5 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
SGMR1-4-E | Sigma Opioid Receptor (cluster #4 Of 6), Eukaryotic | Eukaryotes | 2540 | 0.34 | Binding ≤ 10μM |
Z104302-7-O | Glutamate NMDA Receptor (cluster #7 Of 7), Other | Other | 36 | 0.45 | Binding ≤ 10μM |
Z50425-7-O | Plasmodium Falciparum (cluster #7 Of 22), Other | Other | 1000 | 0.37 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z104302 | Z104302 | Glutamate NMDA Receptor | 29 | 0.46 | Binding ≤ 1μM |
Z104302 | Z104302 | Glutamate NMDA Receptor | 29 | 0.46 | Binding ≤ 10μM |
SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 2535 | 0.34 | Binding ≤ 10μM |
Z50425 | Z50425 | Plasmodium Falciparum | 1000 | 0.37 | Functional ≤ 10μM |