In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 20 | Yes |
Popular Name: (2S)-2-(1,3-benzodioxol-5-yloxy)-2-(4-fluorophenyl)ethanamine (2S)-2-(1,3-benzodioxol-5-yloxy)…
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) | 2.43 | 4.73 | -58.42 | 3 | 4 | 1 | 55 | 276.287 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.43 | 4.43 | -6.46 | 2 | 4 | 0 | 54 | 275.279 | 4 | ↓ |