In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 4th, 2005 | 24 | Yes |
(S)-(+)-[(2R,4S,5R)-1-Aza-5-vinylbicyclo[2.2.2]oct-2-yl](6-methoxyquinolin-4-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) | 3.06 | 7.5 | -39.29 | 2 | 4 | 1 | 47 | 325.432 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.06 | 7.93 | -90.16 | 3 | 4 | 2 | 48 | 326.44 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 168-172 °C(lit.) | Indofine |