| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 29 | Yes |
Popular Name: Reserpic acid Reserpic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 83-60-3 , [1910-70-9] , [83-60-3]
| 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) | 2.34 | 6.95 | -16.41 | 3 | 7 | 0 | 99 | 400.475 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.34 | 2.71 | -40.81 | 2 | 7 | -1 | 98 | 399.467 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US3113134; US3119819; US3464995; US3974164; US3978065 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| VMAT2-1-E | Synaptic Vesicular Amine Transporter (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.24 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| VMAT2_BOVIN | Q27963 | Synaptic Vesicular Amine Transporter, Bovin | 10000 | 0.24 | Binding ≤ 10μM |
