| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 31st, 2010 | 24 | Yes |
Popular Name: (2R)-2-[(S)-(2-ethoxyphenoxy)-(4-iodophenyl)methyl]morpholine (2R)-2-[(S)-(2-ethoxyphenoxy)-(4…
| 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) | 3.92 | 8.66 | -43.09 | 2 | 4 | 1 | 44 | 440.301 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.92 | 7.31 | -5.84 | 1 | 4 | 0 | 40 | 439.293 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q63380-1-E | Transporter (cluster #1 Of 1), Eukaryotic | Eukaryotes | 58 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q63380_RAT | Q63380 | Transporter, Rat | 58.2 | 0.42 | Binding ≤ 1μM |
| Q63380_RAT | Q63380 | Transporter, Rat | 58.2 | 0.42 | Binding ≤ 10μM |
