| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 15 | Yes |
Popular Name: Thioxanthen-9-one Thioxanthen-9-one
Find On: PubMed — Wikipedia — Google
CAS Number: 492-22-8
| 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) | 4.21 | 0.49 | -9.9 | 0 | 1 | 0 | 17 | 212.273 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 209 - 210 | MolMall (formerly Molecular Diversity Preservation International) |
| Melting_Point | 210-213? | Alfa-Aesar |
| Melting_Point | 210-213° | Alfa-Aesar |
| MP | 215 | TCI |
| Boiling_Point | 371-373?/715mm | Alfa-Aesar |
| Boiling_Point | 371-373°/715mm | Alfa-Aesar |
| BP | 373 | TCI |
| Purity | 95% | Fluorochem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFA-4-E | Monoamine Oxidase A (cluster #4 Of 8), Eukaryotic | Eukaryotes | 600 | 0.58 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFA_RAT | P21396 | Monoamine Oxidase A, Rat | 600 | 0.58 | Binding ≤ 1μM |
| AOFA_RAT | P21396 | Monoamine Oxidase A, Rat | 600 | 0.58 | Binding ≤ 10μM |
