| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 12th, 2010 | 15 | Yes |
Popular Name: (1R,5S)-1-(1,3-benzodioxol-5-yl)-3-azabicyclo[3.1.0]hexane (1R,5S)-1-(1,3-benzodioxol-5-yl)…
| 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) | 2.13 | 4.55 | -45.85 | 2 | 3 | 1 | 35 | 204.249 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q63380-1-E | Transporter (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3500 | 0.51 | Binding ≤ 10μM |
| SC6A4-1-E | Serotonin Transporter (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1500 | 0.54 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A4_RAT | P31652 | Serotonin Transporter, Rat | 1500 | 0.54 | Binding ≤ 10μM |
| Q63380_RAT | Q63380 | Transporter, Rat | 3500 | 0.51 | Binding ≤ 10μM |
