| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 9 | No |
Popular Name: 3-hydroxy-2-methyl-4H-pyran-4-thione 3-hydroxy-2-methyl-4H-pyran-4-th…
Find On: PubMed — Wikipedia — Google
CAS Number: 23060-85-7
| 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) | 0.78 | 1.81 | -23.84 | 1 | 2 | 0 | 33 | 142.179 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYRO-3-F | Tyrosinase (cluster #3 Of 8), Fungal | Fungi | 3800 | 0.84 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYRO_AGABI | O42713 | Tyrosinase, Agabi | 3800 | 0.84 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.