| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2008 | 36 | Yes |
Popular Name: (2-fluorophenyl)-(3-methoxyphenyl)-dimethyl-BLAHdione (2-fluorophenyl)-(3-methoxypheny…
| 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) | 4.42 | 11.56 | -17.82 | 1 | 7 | 0 | 70 | 482.515 | 3 | ↓ |
| 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 | 2000 | 0.22 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CFTR_HUMAN | P13569 | Cystic Fibrosis Transmembrane Conductance Regulator, Human | 2000 | 0.22 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| ABC-family proteins mediated transport |
