In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 22 | No |
Popular Name: (-)-Scopolamine (-)-Scopolamine
(1R,2R,4S,5R)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 3-hydroxy-2-phenylpropanoate
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) | 1.05 | 2.82 | -8.49 | 1 | 5 | 0 | 62 | 303.358 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.05 | 5.17 | -41.08 | 2 | 5 | 1 | 63 | 304.366 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.