| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2008 | 12 | No |
1-(1-(thiophen-2-yl)ethylidene)thiosemicarbazide
| 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) | 1.70 | 4.06 | -12.49 | 3 | 3 | 0 | 50 | 199.304 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYRO-5-F | Tyrosinase (cluster #5 Of 8), Fungal | Fungi | 140 | 0.80 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYRO_AGABI | O42713 | Tyrosinase, Agabi | 140 | 0.80 | Binding ≤ 1μM |
| TYRO_AGABI | O42713 | Tyrosinase, Agabi | 140 | 0.80 | Binding ≤ 10μM |
