| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 12 | No |
Popular Name: 5-phenyl-1,3,4-thiadiazole-2-thiol 5-phenyl-1,3,4-thiadiazole-2-thiol
Find On: PubMed — Wikipedia — Google
CAS Number: 5585-19-3
| 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) | 2.97 | 5.05 | -40.67 | 0 | 2 | -1 | 26 | 193.276 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 199 - 201 | Enamine Building Blocks |
| MP | 199...201 | Enamine Building Blocks |
| Melting_Point | 213-215? | Alfa-Aesar |
| Melting_Point | 213-215° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYRO-2-F | Tyrosinase (cluster #2 Of 8), Fungal | Fungi | 1310 | 0.69 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYRO_AGABI | O42713 | Tyrosinase, Agabi | 1310 | 0.69 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.