| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2010 | 19 | 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) | 3.42 | 8.19 | -47.08 | 3 | 2 | 1 | 33 | 271.409 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDR5-1-F | Pleiotropic ABC Efflux Transporter Of Multiple Drugs (cluster #1 Of 1), Fungal | Fungi | 3100 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDR5_YEAST | P33302 | Pleiotropic ABC Efflux Transporter Of Multiple Drugs, Yeast | 3100 | 0.41 | Binding ≤ 10μM |
