| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 17 | Yes |
Popular Name: Alaproclate Alaproclate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 60719-82-6 , 60719-83-7
| 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 |
|---|
| Note Type | Comments | Provided By |
|---|---|---|
| therap | antidepressant | MicroSource Spectrum |
| Therapy | Potent and selective serotonin reuptake inhibitor | SMDC Pharmakon |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A4-1-E | Serotonin Transporter (cluster #1 Of 1), Eukaryotic | Eukaryotes | 700 | 0.51 | Functional ≤ 10μM |
| Z50425-9-O | Plasmodium Falciparum (cluster #9 Of 22), Other | Other | 1259 | 0.49 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 700 | 0.51 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 1000 | 0.49 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 700 | 0.51 | Functional ≤ 10μM |
| SC6A4_RAT | P31652 | Serotonin Transporter, Rat | 700 | 0.51 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.