In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 14th, 2006 | 12 | No |
Popular Name: 5-cyclohexyl-1,3,4-oxadiazole-2-thiol 5-cyclohexyl-1,3,4-oxadiazole-2-…
Find On: PubMed — Wikipedia — Google
CAS Number: 173589-87-2
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) | 1.12 | 1.83 | -6.74 | 1 | 3 | 0 | 42 | 184.264 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.85 | 1.15 | -39.87 | 0 | 3 | -1 | 39 | 183.256 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 81 - 83 | Enamine Building Blocks |
MP | 81...83 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
TYRO-1-F | Tyrosinase (cluster #1 Of 8), Fungal | Fungi | 4940 | 0.62 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
TYRO_AGABI | O42713 | Tyrosinase, Agabi | 4940 | 0.62 | Binding ≤ 10μM |