| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2008 | 19 | No |
Popular Name: 1-methyl-3-[(4-methylphenyl)imino]-1,3-dihydro-2H-indol-2-one 1-methyl-3-[(4-methylphenyl)imin…
Find On: PubMed — Wikipedia — Google
CAS Number: 73271-41-7
| 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) | 3.75 | 7.79 | -10.23 | 0 | 3 | 0 | 34 | 250.301 | 1 | ↓ |
| Ref Reference (pH 7) | 3.75 | 7.51 | -11.71 | 0 | 3 | 0 | 34 | 250.301 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 172 - 173 | KeyOrganics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TTHY-1-E | Transthyretin (cluster #1 Of 3), Eukaryotic | Eukaryotes | 6300 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TTHY_HUMAN | P02766 | Transthyretin, Human | 6300 | 0.38 | Binding ≤ 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) |
