In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 21 | Yes |
Popular Name: (2S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-2-pyrrolidin-1-yl-ethanamine (2S)-2-[(2R)-5-ethoxy-2-methyl-2…
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) | 1.88 | 6.78 | -116.77 | 4 | 4 | 2 | 51 | 292.423 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.88 | 5.18 | -38.72 | 3 | 4 | 1 | 49 | 291.415 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.88 | 6.31 | -26.29 | 3 | 4 | 1 | 49 | 291.415 | 5 | ↓ |