| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 28th, 2008 | 19 | No |
Popular Name: DNC014396 DNC014396
5-(diphenylmethyl)-1,3,4-oxadiazole-2-thiol
5-benzhydryl-1,3,4-oxadiazole-2(3H)-thione
| 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) | 3.12 | 5.59 | -42.95 | 0 | 3 | -1 | 39 | 267.333 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.39 | 5.96 | -8.9 | 1 | 3 | 0 | 42 | 268.341 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYRO-1-F | Tyrosinase (cluster #1 Of 8), Fungal | Fungi | 6760 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TYRO_AGABI | O42713 | Tyrosinase, Agabi | 6760 | 0.38 | Binding ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.