| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 8th, 2009 | 19 | Yes |
| 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) | 4.37 | 5.82 | -50.84 | 1 | 4 | -1 | 70 | 298.101 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.37 | 6.76 | -114.35 | 0 | 4 | -2 | 72 | 297.093 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TTHY-1-E | Transthyretin (cluster #1 Of 3), Eukaryotic | Eukaryotes | 27 | 0.56 | Binding ≤ 10μM |
| TTHY-1-E | Transthyretin (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2590 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TTHY_HUMAN | P02766 | Transthyretin, Human | 27 | 0.56 | Binding ≤ 1μM |
| TTHY_HUMAN | P02766 | Transthyretin, Human | 27 | 0.56 | Binding ≤ 10μM |
| TTHY_HUMAN | P02766 | Transthyretin, Human | 2590 | 0.41 | 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) |
