| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 16 | Yes |
Popular Name: 3-(5-fluoro-1H-indol-3-yl)-N,N-dimethyl-propan-1-amine 3-(5-fluoro-1H-indol-3-yl)-N,N-d…
| 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) | 1.98 | 8.17 | -37.63 | 2 | 2 | 1 | 20 | 221.299 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PERM-1-E | Myeloperoxidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 49 | 0.64 | Binding ≤ 10μM |
| SC6A4-3-E | Serotonin Transporter (cluster #3 Of 4), Eukaryotic | Eukaryotes | 4 | 0.73 | Binding ≤ 10μM |
| SC6A4-1-E | Serotonin Transporter (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4 | 0.73 | Functional ≤ 10μM |
| Z80936-1-O | HEK293 (Embryonic Kidney Fibroblasts) (cluster #1 Of 4), Other | Other | 4 | 0.73 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PERM_HUMAN | P05164 | Myeloperoxidase, Human | 130 | 0.60 | Binding ≤ 1μM |
| SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 4 | 0.73 | Binding ≤ 1μM |
| PERM_HUMAN | P05164 | Myeloperoxidase, Human | 130 | 0.60 | Binding ≤ 10μM |
| SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 4 | 0.73 | Binding ≤ 10μM |
| Z80936 | Z80936 | HEK293 (Embryonic Kidney Fibroblasts) | 4 | 0.73 | Functional ≤ 10μM |
| SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 4 | 0.73 | Functional ≤ 10μM |
