| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2004 | 15 | Yes |
Popular Name: 5-FLUORO-N,N-DIMETHYLTRYPTAMINE 5-FLUORO-N,N-DIMETHYLTRYPTAMINE
Find On: PubMed — Wikipedia — Google
CAS Number: 22120-36-1
| 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) | 1.46 | 7.39 | -38.9 | 2 | 2 | 1 | 20 | 207.272 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PERM-1-E | Myeloperoxidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 90 | 0.66 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PERM_HUMAN | P05164 | Myeloperoxidase, Human | 580 | 0.58 | Binding ≤ 1μM |
| PERM_HUMAN | P05164 | Myeloperoxidase, Human | 580 | 0.58 | Binding ≤ 10μM |
