| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2010 | 24 | No |
Popular Name: 4-[(Z)-[3-(m-tolyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]benzoic 4-[(Z)-[3-(m-tolyl)-4-oxo-2-thio…
| 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) | 3.71 | 11.48 | -50.4 | 0 | 4 | -1 | 62 | 354.432 | 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 | 5000 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CFTR_HUMAN | P13569 | Cystic Fibrosis Transmembrane Conductance Regulator, Human | 5000 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| ABC-family proteins mediated transport |
