| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 27th, 2005 | 13 | No |
Popular Name: 2-(5-mercapto-1,3,4-oxadiazol-2-yl)phenol 2-(5-mercapto-1,3,4-oxadiazol-2-…
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CAS Numbers: , N/A
| 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) | 2.06 | -0.75 | -39.11 | 1 | 4 | -1 | 59 | 193.207 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TTHY-1-E | Transthyretin (cluster #1 Of 3), Eukaryotic | Eukaryotes | 42 | 0.79 | Binding ≤ 10μM |
| TTHY-1-E | Transthyretin (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3100 | 0.59 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TTHY_HUMAN | P02766 | Transthyretin, Human | 42 | 0.79 | Binding ≤ 1μM |
| TTHY_HUMAN | P02766 | Transthyretin, Human | 42 | 0.79 | Binding ≤ 10μM |
| TTHY_HUMAN | P02766 | Transthyretin, Human | 3100 | 0.59 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Amyloids | |
| Non-integrin membrane-ECM interactions | |
| Retinoid cycle disease events | |
| Retinoid metabolism and transport | |
| The canonical retinoid cycle in rods (twilight vision) |
No pre-computed analogs available. Try a structural similarity search.