In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 20 | Yes |
Popular Name: (S)-1,3-benzodioxol-5-yl-(5-fluoro-2-methoxy-phenyl)methanamine (S)-1,3-benzodioxol-5-yl-(5-fluo…
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) | 2.94 | 4.45 | -53.18 | 3 | 4 | 1 | 55 | 276.287 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.94 | 4.13 | -7.39 | 2 | 4 | 0 | 54 | 275.279 | 3 | ↓ |