| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 22 | Yes |
Popular Name: Cinchonidine Cinchonidine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 118-10-5 , 24302-67-8 , 485-71-2 , 5949-11-1 , 5949-16-6 , [118-10-5]
(-)-Cinchonidine, 99% (total base), may cont. up to 5% quinine
118-10-5; cinchonan-9-ol; nsc6176
4-quinolyl(5-vinyl-1-azabicyclo[2.2.2]oct-2-yl)methanol
| 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) | 3.03 | 7.02 | -43.65 | 2 | 3 | 1 | 38 | 295.406 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.03 | 7.46 | -90.8 | 3 | 3 | 2 | 39 | 296.414 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 201-206? | Alfa-Aesar |
| Melting_Point | 201-206° | Alfa-Aesar |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP2D6-1-E | Cytochrome P450 2D6 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 9300 | 0.32 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CP2D6_HUMAN | P10635 | Cytochrome P450 2D6, Human | 1000 | 0.38 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| CYP2E1 reactions | |
| Fatty acids | |
| Miscellaneous substrates | |
| Xenobiotics |
