In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 21 | Yes |
Popular Name: (1R,2R)-1-(1,3-benzodioxol-5-yloxy)-1-(4-fluorophenyl)propan-2-amine (1R,2R)-1-(1,3-benzodioxol-5-ylo…
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) | 2.84 | 5.29 | -46.4 | 3 | 4 | 1 | 55 | 290.314 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.84 | 4.97 | -5.92 | 2 | 4 | 0 | 54 | 289.306 | 4 | ↓ |