| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 31st, 2008 | 34 | 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) | 4.67 | 12.64 | -13.58 | 1 | 6 | 0 | 61 | 448.526 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CFTR-1-E | Cystic Fibrosis Transmembrane Conductance Regulator (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5000 | 0.22 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CFTR_HUMAN | P13569 | Cystic Fibrosis Transmembrane Conductance Regulator, Human | 5000 | 0.22 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| ABC-family proteins mediated transport |
