| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 4th, 2011 | 26 | No |
Popular Name: (E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enamide (E)-N-[2-(5-hydroxy-1H-indol-3-y…
| 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) | 2.56 | 2.93 | -18.64 | 4 | 6 | 0 | 95 | 352.39 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYRO-7-F | Tyrosinase (cluster #7 Of 8), Fungal | Fungi | 5400 | 0.28 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYRO_AGABI | O42713 | Tyrosinase, Agabi | 5400 | 0.28 | Binding ≤ 10μM |
