| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 25 | No |
Popular Name: 4-[(Z)-[3-(2,3-dimethylphenyl)-4-keto-2-thioxo-thiazolidin-5-ylidene]methyl]benzoate 4-[(Z)-[3-(2,3-dimethylphenyl)-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) | 4.09 | 0.39 | -52.9 | 0 | 4 | -1 | 62 | 368.459 | 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 | 7000 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CFTR_HUMAN | P13569 | Cystic Fibrosis Transmembrane Conductance Regulator, Human | 7000 | 0.29 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| ABC-family proteins mediated transport |
