In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 20 | Yes |
Popular Name: (1S)-1-(benzofuran-2-yl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanamine (1S)-1-(benzofuran-2-yl)-2-[(2S,…
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) | 0.59 | 4.63 | -45.34 | 3 | 4 | 1 | 53 | 275.372 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.59 | 4.21 | -5.61 | 2 | 4 | 0 | 52 | 274.364 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.59 | 6.22 | -132.11 | 4 | 4 | 2 | 54 | 276.38 | 3 | ↓ |