| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 14 | No |
| 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) | -0.81 | 7.46 | -28.76 | 1 | 2 | 1 | 20 | 202.362 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A8-1-E | Creatine Transporter (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2100 | 0.57 | Binding ≤ 10μM |
| Z50425-6-O | Plasmodium Falciparum (cluster #6 Of 22), Other | Other | 3850 | 0.54 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A8_RAT | P28570 | Creatine Transporter, Rat | 10000 | 0.50 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 3850 | 0.54 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Creatine metabolism |
