| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2012 | 22 | Yes |
Popular Name: DMAB-anabaseine dihydrochloride DMAB-anabaseine dihydrochloride
Find On: PubMed — Wikipedia — Google
CAS Number: 32013-69-7
4-[(5,6-Dihydro[2, 3'-bipyridin]-3(4H)-ylidene)methyl]-N,N-dimethylbenzenamine dihydrochloride
| 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) | 3.40 | 7.96 | -26.42 | 1 | 3 | 1 | 30 | 292.406 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.40 | 7.01 | -6.17 | 0 | 3 | 0 | 28 | 291.398 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5516785; WO1992015306A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.