In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 21st, 2010 | 23 | Yes |
Popular Name: (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-fluoro-4-methoxy-phenyl)methyl]ethanamine (1S)-1-(2,3-dihydro-1,4-benzodio…
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) | 3.11 | 7.41 | -52.91 | 2 | 4 | 1 | 44 | 318.368 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.11 | 6.3 | -9.17 | 1 | 4 | 0 | 40 | 317.36 | 5 | ↓ |